N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide

C16H18N8O — CID 175650599

IUPACN-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
SMILESCn1cnc2c(N3CCCC(NC(=O)c4ccncn4)C3)ncnc21
InChIInChI=1S/C16H18N8O/c1-23-10-21-13-14(23)19-9-20-15(13)24-6-2-3-11(7-24)22-16(25)12-4-5-17-8-18-12/h4-5,8-11H,2-3,6-7H2,1H3,(H,22,25)
InChIKeyARCIYDPOIPNQCT-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.55
Rot. Bonds3

About N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide

N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide (PubChem CID 175650599) has the molecular formula C16H18N8O and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
PubChem CID175650599
Molecular FormulaC16H18N8O
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC NameN-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
SMILESCn1cnc2c(N3CCCC(NC(=O)c4ccncn4)C3)ncnc21
InChIInChI=1S/C16H18N8O/c1-23-10-21-13-14(23)19-9-20-15(13)24-6-2-3-11(7-24)22-16(25)12-4-5-17-8-18-12/h4-5,8-11H,2-3,6-7H2,1H3,(H,22,25)
InChIKeyARCIYDPOIPNQCT-UHFFFAOYSA-N
XLogP0.55
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171690523
N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175649015
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175650624
N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993464
6-(azetidin-1-yl)-9-methylpurine
CID 147079717
N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175650980
N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175651152
1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide
CID 175650497
N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide
CID 155974091
1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172903005
N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172891341
N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175648871

Frequently Asked Questions

What is the IUPAC name of N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide (CID 175650599) is N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide is Cn1cnc2c(N3CCCC(NC(=O)c4ccncn4)C3)ncnc21.
What is the InChIKey of N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
The InChIKey is ARCIYDPOIPNQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c1-23-10-21-13-14(23)19-9-20-15(13)24-6-2-3-11(7-24)22-16(25)12-4-5-17-8-18-12/h4-5,8-11H,2-3,6-7H2,1H3,(H,22,25).
What are the key properties of N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 175650599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).