1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

C14H23N5O — CID 80960978

IUPAC1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cc(N)nc(C(C)C)n2)CC1
InChIInChI=1S/C14H23N5O/c1-9(2)13-17-11(15)8-12(18-13)19-6-4-10(5-7-19)14(20)16-3/h8-10H,4-7H2,1-3H3,(H,16,20)(H2,15,17,18)
InChIKeyOUKQYRKQLAVVRS-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.14
Rot. Bonds3

About 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (PubChem CID 80960978) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
PubChem CID80960978
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cc(N)nc(C(C)C)n2)CC1
InChIInChI=1S/C14H23N5O/c1-9(2)13-17-11(15)8-12(18-13)19-6-4-10(5-7-19)14(20)16-3/h8-10H,4-7H2,1-3H3,(H,16,20)(H2,15,17,18)
InChIKeyOUKQYRKQLAVVRS-UHFFFAOYSA-N
XLogP1.14
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322370
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103197446
6-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 102971409
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 137009141
1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103198582
2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541833
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 112731117
1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133277457
6-(3,4-dimethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80958087
5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 114919341
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80954178
1-(6-chloro-1,8-naphthyridin-2-yl)-N-methylpiperidine-4-carboxamide
CID 136568174

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (CID 80960978) is 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2cc(N)nc(C(C)C)n2)CC1.
What is the InChIKey of 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The InChIKey is OUKQYRKQLAVVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-9(2)13-17-11(15)8-12(18-13)19-6-4-10(5-7-19)14(20)16-3/h8-10H,4-7H2,1-3H3,(H,16,20)(H2,15,17,18).
What are the key properties of 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 80960978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).