2-cyclopropyl-N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide

C21H32N4O2 — CID 56884318

IUPAC2-cyclopropyl-N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide
SMILESCN(CC1(N2CCCCC2)CCCCC1)C(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C21H32N4O2/c1-24(20(27)17-14-22-18(16-8-9-16)23-19(17)26)15-21(10-4-2-5-11-21)25-12-6-3-7-13-25/h14,16H,2-13,15H2,1H3,(H,22,23,26)
InChIKeyAGZXTNULFLSRSK-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.91
Rot. Bonds5

About 2-cyclopropyl-N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide (PubChem CID 56884318) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide
PubChem CID56884318
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name2-cyclopropyl-N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide
SMILESCN(CC1(N2CCCCC2)CCCCC1)C(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C21H32N4O2/c1-24(20(27)17-14-22-18(16-8-9-16)23-19(17)26)15-21(10-4-2-5-11-21)25-12-6-3-7-13-25/h14,16H,2-13,15H2,1H3,(H,22,23,26)
InChIKeyAGZXTNULFLSRSK-UHFFFAOYSA-N
XLogP2.91
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1,9-dimethyl-1,4,9-triazaspiro[5.5]undec-4-yl)carbonyl]-2-isopropylpyrimidin-4(3H)-one
CID 56742402
2-tert-butyl-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide
CID 70738324
N-methyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 56891064
N-methyl-2-(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)-N-{[1-(1-piperidinyl)cyclohexyl]methyl}acetamide
CID 56895384
5-{[4-(1-adamantyl)-1-piperazinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 56902658
N,2-dimethyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 70709563
2-cyclopropyl-5-({4-[1-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-4(3H)-pyrimidinone
CID 70777499
4-[(2-Cyclopropyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72878666
2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74233281
(6S)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97127616
(6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97127617
2-cyclopropyl-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97872291

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide (CID 56884318) is 2-cyclopropyl-N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide is CN(CC1(N2CCCCC2)CCCCC1)C(=O)c1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is AGZXTNULFLSRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-24(20(27)17-14-22-18(16-8-9-16)23-19(17)26)15-21(10-4-2-5-11-21)25-12-6-3-7-13-25/h14,16H,2-13,15H2,1H3,(H,22,23,26).
What are the key properties of 2-cyclopropyl-N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56884318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).