N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C24H25F3N6O3 — CID 90461553

IUPACN-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(NCCO)n1
InChIInChI=1S/C24H25F3N6O3/c1-15-19(20-13-21(33-6-9-36-10-7-33)32-23(31-20)28-5-8-34)12-18(14-29-15)30-22(35)16-3-2-4-17(11-16)24(25,26)27/h2-4,11-14,34H,5-10H2,1H3,(H,30,35)(H,28,31,32)
InChIKeyISNIHEAIKJYTRD-UHFFFAOYSA-N
MW502.50 g/mol
LogP3.36
Rot. Bonds7

About N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 90461553) has the molecular formula C24H25F3N6O3 and a molecular weight of 502.50 g/mol. Its IUPAC name is N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID90461553
Molecular FormulaC24H25F3N6O3
Molecular Weight502.50 g/mol
Exact Mass502.19
IUPAC NameN-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(NCCO)n1
InChIInChI=1S/C24H25F3N6O3/c1-15-19(20-13-21(33-6-9-36-10-7-33)32-23(31-20)28-5-8-34)12-18(14-29-15)30-22(35)16-3-2-4-17(11-16)24(25,26)27/h2-4,11-14,34H,5-10H2,1H3,(H,30,35)(H,28,31,32)
InChIKeyISNIHEAIKJYTRD-UHFFFAOYSA-N
XLogP3.36
TPSA112.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.50
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 90461553) is N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(NCCO)n1.
What is the InChIKey of N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ISNIHEAIKJYTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O3/c1-15-19(20-13-21(33-6-9-36-10-7-33)32-23(31-20)28-5-8-34)12-18(14-29-15)30-22(35)16-3-2-4-17(11-16)24(25,26)27/h2-4,11-14,34H,5-10H2,1H3,(H,30,35)(H,28,31,32).
What are the key properties of N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 502.50 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90461553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).