N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide

C12H19N5O — CID 80806703

IUPACN-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1cc(NC)ncn1
InChIInChI=1S/C12H19N5O/c1-13-10-7-11(16-8-15-10)17-6-4-3-5-9(17)12(18)14-2/h7-9H,3-6H2,1-2H3,(H,14,18)(H,13,15,16)
InChIKeyCVZSNUFHKFHSAV-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.62
Rot. Bonds3

About N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide

N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide (PubChem CID 80806703) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
PubChem CID80806703
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1cc(NC)ncn1
InChIInChI=1S/C12H19N5O/c1-13-10-7-11(16-8-15-10)17-6-4-3-5-9(17)12(18)14-2/h7-9H,3-6H2,1-2H3,(H,14,18)(H,13,15,16)
InChIKeyCVZSNUFHKFHSAV-UHFFFAOYSA-N
XLogP0.62
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 115416730
1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80806770
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine
CID 102729101
6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 104693081
1-(5-aminopyrazin-2-yl)-N-methylpiperidine-2-carboxamide
CID 80653622
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80940164
N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83103920
6-(2,3-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 80821891
1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80932532
(2S)-1-[6-(2-hydroxypropylamino)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 122059757

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide?
The IUPAC name of N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide (CID 80806703) is N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide is CNC(=O)C1CCCCN1c1cc(NC)ncn1.
What is the InChIKey of N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide?
The InChIKey is CVZSNUFHKFHSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-13-10-7-11(16-8-15-10)17-6-4-3-5-9(17)12(18)14-2/h7-9H,3-6H2,1-2H3,(H,14,18)(H,13,15,16).
What are the key properties of N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide?
N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide is sourced from PubChem (CID 80806703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).