1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide

C15H23N5O — CID 80961032

IUPAC1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
SMILESCNc1cc(N2CC(C(N)=O)CCC2C)nc(C2CC2)n1
InChIInChI=1S/C15H23N5O/c1-9-3-4-11(14(16)21)8-20(9)13-7-12(17-2)18-15(19-13)10-5-6-10/h7,9-11H,3-6,8H2,1-2H3,(H2,16,21)(H,17,18,19)
InChIKeyNYFQXAUUUDFCHN-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.49
Rot. Bonds4

About 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide

1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide (PubChem CID 80961032) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
PubChem CID80961032
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
SMILESCNc1cc(N2CC(C(N)=O)CCC2C)nc(C2CC2)n1
InChIInChI=1S/C15H23N5O/c1-9-3-4-11(14(16)21)8-20(9)13-7-12(17-2)18-15(19-13)10-5-6-10/h7,9-11H,3-6,8H2,1-2H3,(H2,16,21)(H,17,18,19)
InChIKeyNYFQXAUUUDFCHN-UHFFFAOYSA-N
XLogP1.49
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80957124
2-cyclopropyl-N-methyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine
CID 80959929
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
CID 80786083
1-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
CID 80987847
1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
CID 47357719
1-[4-(aminomethyl)-6-methyl-2-pyridinyl]-6-methylpiperidine-3-carboxamide
CID 114765163
2-cyclopropyl-N-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541814
1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
CID 80806637
1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 80756026
(3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 99857715
2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80967067
2-cyclopropyl-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 81469286

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide (CID 80961032) is 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide is CNc1cc(N2CC(C(N)=O)CCC2C)nc(C2CC2)n1.
What is the InChIKey of 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide?
The InChIKey is NYFQXAUUUDFCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-9-3-4-11(14(16)21)8-20(9)13-7-12(17-2)18-15(19-13)10-5-6-10/h7,9-11H,3-6,8H2,1-2H3,(H2,16,21)(H,17,18,19).
What are the key properties of 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide?
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 80961032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).