2-methyl-6-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidine-4-carboxamide

C19H26N6O — CID 45184903

IUPAC2-methyl-6-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidine-4-carboxamide
SMILESCc1nc(CC(C)C)cc(C(=O)NC2CCCN(c3ncccn3)C2)n1
InChIInChI=1S/C19H26N6O/c1-13(2)10-16-11-17(23-14(3)22-16)18(26)24-15-6-4-9-25(12-15)19-20-7-5-8-21-19/h5,7-8,11,13,15H,4,6,9-10,12H2,1-3H3,(H,24,26)
InChIKeyLRNRKRVBDZKTND-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.17
Rot. Bonds5

About 2-methyl-6-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidine-4-carboxamide

2-methyl-6-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidine-4-carboxamide (PubChem CID 45184903) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidine-4-carboxamide
PubChem CID45184903
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2-methyl-6-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidine-4-carboxamide
SMILESCc1nc(CC(C)C)cc(C(=O)NC2CCCN(c3ncccn3)C2)n1
InChIInChI=1S/C19H26N6O/c1-13(2)10-16-11-17(23-14(3)22-16)18(26)24-15-6-4-9-25(12-15)19-20-7-5-8-21-19/h5,7-8,11,13,15H,4,6,9-10,12H2,1-3H3,(H,24,26)
InChIKeyLRNRKRVBDZKTND-UHFFFAOYSA-N
XLogP2.17
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide
CID 56887725
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 65224744
3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride
CID 120503187
(2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide
CID 61179360
5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide
CID 125178549
1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 47048571
(2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 95134540
N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide
CID 51089111
3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 42556906
4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide
CID 55857815

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidine-4-carboxamide (CID 45184903) is 2-methyl-6-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidine-4-carboxamide is Cc1nc(CC(C)C)cc(C(=O)NC2CCCN(c3ncccn3)C2)n1.
What is the InChIKey of 2-methyl-6-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidine-4-carboxamide?
The InChIKey is LRNRKRVBDZKTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-13(2)10-16-11-17(23-14(3)22-16)18(26)24-15-6-4-9-25(12-15)19-20-7-5-8-21-19/h5,7-8,11,13,15H,4,6,9-10,12H2,1-3H3,(H,24,26).
What are the key properties of 2-methyl-6-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidine-4-carboxamide?
2-methyl-6-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidine-4-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 45184903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).