2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide

C15H24N4O — CID 124961790

IUPAC2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc([C@H]2CCCN(C)C2)nc(C)n1
InChIInChI=1S/C15H24N4O/c1-4-7-16-15(20)14-9-13(17-11(2)18-14)12-6-5-8-19(3)10-12/h9,12H,4-8,10H2,1-3H3,(H,16,20)/t12-/m0/s1
InChIKeyHEDVNPXRPYOCQE-LBPRGKRZSA-N
MW276.38 g/mol
LogP1.73
Rot. Bonds4

About 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide

2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide (PubChem CID 124961790) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide
PubChem CID124961790
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc([C@H]2CCCN(C)C2)nc(C)n1
InChIInChI=1S/C15H24N4O/c1-4-7-16-15(20)14-9-13(17-11(2)18-14)12-6-5-8-19(3)10-12/h9,12H,4-8,10H2,1-3H3,(H,16,20)/t12-/m0/s1
InChIKeyHEDVNPXRPYOCQE-LBPRGKRZSA-N
XLogP1.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360175
2-methyl-6-(1-methylpiperidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110255556
2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine
CID 124942782
(1-methylpiperidin-3-yl) N-propylcarbamate
CID 86158390
6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid
CID 83822396
2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362764
N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820358
2-methyl-N-propyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109360246
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanamine
CID 116892379
N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 95876230
2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109364151
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide
CID 62654182

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide (CID 124961790) is 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc([C@H]2CCCN(C)C2)nc(C)n1.
What is the InChIKey of 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide?
The InChIKey is HEDVNPXRPYOCQE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-7-16-15(20)14-9-13(17-11(2)18-14)12-6-5-8-19(3)10-12/h9,12H,4-8,10H2,1-3H3,(H,16,20)/t12-/m0/s1.
What are the key properties of 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide?
2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3S)-1-methylpiperidin-3-yl]-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 124961790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).