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

C14H22ClN5O — CID 80784866

IUPAC1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
SMILESCCCNc1ncc(Cl)c(N2CCCCC2C(=O)NC)n1
InChIInChI=1S/C14H22ClN5O/c1-3-7-17-14-18-9-10(15)12(19-14)20-8-5-4-6-11(20)13(21)16-2/h9,11H,3-8H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyONOFRQWSIXQNGY-UHFFFAOYSA-N
MW311.82 g/mol
LogP2.06
Rot. Bonds5

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

1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide (PubChem CID 80784866) 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-2-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
PubChem CID80784866
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
SMILESCCCNc1ncc(Cl)c(N2CCCCC2C(=O)NC)n1
InChIInChI=1S/C14H22ClN5O/c1-3-7-17-14-18-9-10(15)12(19-14)20-8-5-4-6-11(20)13(21)16-2/h9,11H,3-8H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyONOFRQWSIXQNGY-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765390
1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80904855
1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 79632083
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80779212
5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 104692996
5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797010
1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80806767
N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80786025
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide
CID 102757200
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 103583254
1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80785472

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide (CID 80784866) is 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide is CCCNc1ncc(Cl)c(N2CCCCC2C(=O)NC)n1.
What is the InChIKey of 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide?
The InChIKey is ONOFRQWSIXQNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c1-3-7-17-14-18-9-10(15)12(19-14)20-8-5-4-6-11(20)13(21)16-2/h9,11H,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-2-carboxamide?
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide has a molecular weight of 311.82 g/mol, XLogP of 2.06, 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-2-carboxamide is sourced from PubChem (CID 80784866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).