1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide

C14H22ClN5O — CID 80779212

IUPAC1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
SMILESCCCNc1ncc(Cl)c(N2CCC(C(=O)NC)CC2)n1
InChIInChI=1S/C14H22ClN5O/c1-3-6-17-14-18-9-11(15)12(19-14)20-7-4-10(5-8-20)13(21)16-2/h9-10H,3-8H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyQYRVUONWFVCWJU-UHFFFAOYSA-N
MW311.82 g/mol
LogP1.91
Rot. Bonds5

About 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide

1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 80779212) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
PubChem CID80779212
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
SMILESCCCNc1ncc(Cl)c(N2CCC(C(=O)NC)CC2)n1
InChIInChI=1S/C14H22ClN5O/c1-3-6-17-14-18-9-11(15)12(19-14)20-7-4-10(5-8-20)13(21)16-2/h9-10H,3-8H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyQYRVUONWFVCWJU-UHFFFAOYSA-N
XLogP1.91
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80784866
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80782441
5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797839
5-chloro-4-(4-propan-2-ylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80823869
1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
CID 80779384
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322483
N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 103198569
5-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80848714
1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80754662
5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 103542000
N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80799087

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide (CID 80779212) is 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide is CCCNc1ncc(Cl)c(N2CCC(C(=O)NC)CC2)n1.
What is the InChIKey of 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is QYRVUONWFVCWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c1-3-6-17-14-18-9-11(15)12(19-14)20-7-4-10(5-8-20)13(21)16-2/h9-10H,3-8H2,1-2H3,(H,16,21)(H,17,18,19).
What are the key properties of 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide?
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 311.82 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 80779212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).