4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide

C79H95Cl3N24O6 — CID 158949480

IUPAC4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCN1CCC2(CC1)CN(c1ncc(C(=O)NCc3ncccn3)c(NCc3ccc(CO)c(Cl)c3)n1)C2.CN1CCC2(CCN(c3ncc(C(=O)NCc4ncccn4)c(NCc4ccc(CO)c(Cl)c4)n3)C2)C1.CN1CCCC2(CCN(c3ncc(C(=O)NCc4ncccn4)c(NCc4ccc(CO)c(Cl)c4)n3)C2)C1
InChIInChI=1S/C27H33ClN8O2.2C26H31ClN8O2/c1-35-10-2-6-27(17-35)7-11-36(18-27)26-33-14-21(25(38)32-15-23-29-8-3-9-30-23)24(34-26)31-13-19-4-5-20(16-37)22(28)12-19;1-34-9-5-26(16-34)6-10-35(17-26)25-32-13-20(24(37)31-14-22-28-7-2-8-29-22)23(33-25)30-12-18-3-4-19(15-36)21(27)11-18;1-34-9-5-26(6-10-34)16-35(17-26)25-32-13-20(24(37)31-14-22-28-7-2-8-29-22)23(33-25)30-12-18-3-4-19(15-36)21(27)11-18/h3-5,8-9,12,14,37H,2,6-7,10-11,13,15-18H2,1H3,(H,32,38)(H,31,33,34);2*2-4,7-8,11,13,36H,5-6,9-10,12,14-17H2,1H3,(H,31,37)(H,30,32,33)
InChIKeyJLFXZHRYJPMKKN-UHFFFAOYSA-N
MW1583.15 g/mol
LogP7.85
Rot. Bonds24

About 4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide

4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 158949480) has the molecular formula C79H95Cl3N24O6 and a molecular weight of 1583.15 g/mol. Its IUPAC name is 4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID158949480
Molecular FormulaC79H95Cl3N24O6
Molecular Weight1583.15 g/mol
Exact Mass1580.69
IUPAC Name4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCN1CCC2(CC1)CN(c1ncc(C(=O)NCc3ncccn3)c(NCc3ccc(CO)c(Cl)c3)n1)C2.CN1CCC2(CCN(c3ncc(C(=O)NCc4ncccn4)c(NCc4ccc(CO)c(Cl)c4)n3)C2)C1.CN1CCCC2(CCN(c3ncc(C(=O)NCc4ncccn4)c(NCc4ccc(CO)c(Cl)c4)n3)C2)C1
InChIInChI=1S/C27H33ClN8O2.2C26H31ClN8O2/c1-35-10-2-6-27(17-35)7-11-36(18-27)26-33-14-21(25(38)32-15-23-29-8-3-9-30-23)24(34-26)31-13-19-4-5-20(16-37)22(28)12-19;1-34-9-5-26(16-34)6-10-35(17-26)25-32-13-20(24(37)31-14-22-28-7-2-8-29-22)23(33-25)30-12-18-3-4-19(15-36)21(27)11-18;1-34-9-5-26(6-10-34)16-35(17-26)25-32-13-20(24(37)31-14-22-28-7-2-8-29-22)23(33-25)30-12-18-3-4-19(15-36)21(27)11-18/h3-5,8-9,12,14,37H,2,6-7,10-11,13,15-18H2,1H3,(H,32,38)(H,31,33,34);2*2-4,7-8,11,13,36H,5-6,9-10,12,14-17H2,1H3,(H,31,37)(H,30,32,33)
InChIKeyJLFXZHRYJPMKKN-UHFFFAOYSA-N
XLogP7.85
TPSA358.20 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001583.15
LogP ≤ 57.85
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze 4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CID 118313547
2-(7-azaspiro[3.5]nonan-7-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CID 118313559
2-(6-azaspiro[2.5]octan-6-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CID 118313560
N-benzyl-4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(2,6-diazaspiro[3.4]octan-6-yl)pyrimidine-5-carboxamide
CID 118313561
4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CID 118313562
4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CID 118313563
4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CID 118313564
4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CID 118313565
N-benzyl-4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrimidine-5-carboxamide
CID 118313567
2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CID 118313585
4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-[8-(hydroxymethyl)-7-azaspiro[3.5]nonan-7-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CID 118313647
4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-[7-(hydroxymethyl)-6-azaspiro[2.5]octan-6-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CID 118313648

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide (CID 158949480) is 4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide is CN1CCC2(CC1)CN(c1ncc(C(=O)NCc3ncccn3)c(NCc3ccc(CO)c(Cl)c3)n1)C2.CN1CCC2(CCN(c3ncc(C(=O)NCc4ncccn4)c(NCc4ccc(CO)c(Cl)c4)n3)C2)C1.CN1CCCC2(CCN(c3ncc(C(=O)NCc4ncccn4)c(NCc4ccc(CO)c(Cl)c4)n3)C2)C1.
What is the InChIKey of 4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is JLFXZHRYJPMKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN8O2.2C26H31ClN8O2/c1-35-10-2-6-27(17-35)7-11-36(18-27)26-33-14-21(25(38)32-15-23-29-8-3-9-30-23)24(34-26)31-13-19-4-5-20(16-37)22(28)12-19;1-34-9-5-26(16-34)6-10-35(17-26)25-32-13-20(24(37)31-14-22-28-7-2-8-29-22)23(33-25)30-12-18-3-4-19(15-36)21(27)11-18;1-34-9-5-26(6-10-34)16-35(17-26)25-32-13-20(24(37)31-14-22-28-7-2-8-29-22)23(33-25)30-12-18-3-4-19(15-36)21(27)11-18/h3-5,8-9,12,14,37H,2,6-7,10-11,13,15-18H2,1H3,(H,32,38)(H,31,33,34);2*2-4,7-8,11,13,36H,5-6,9-10,12,14-17H2,1H3,(H,31,37)(H,30,32,33).
What are the key properties of 4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide?
4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 1583.15 g/mol, XLogP of 7.85, 24 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;4-[[3-chloro-4-(hydroxymethyl)phenyl]methylamino]-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 158949480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).