6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide

C20H32N4O3 — CID 131899053

IUPAC6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)nc(=O)[nH]1
InChIInChI=1S/C20H32N4O3/c1-15(2)12-16-13-17(23-19(26)22-16)18(25)21-14-20(6-4-3-5-7-20)24-8-10-27-11-9-24/h13,15H,3-12,14H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyLYVQBKIIKITEET-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.73
Rot. Bonds6

About 6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide

6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 131899053) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID131899053
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)nc(=O)[nH]1
InChIInChI=1S/C20H32N4O3/c1-15(2)12-16-13-17(23-19(26)22-16)18(25)21-14-20(6-4-3-5-7-20)24-8-10-27-11-9-24/h13,15H,3-12,14H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyLYVQBKIIKITEET-UHFFFAOYSA-N
XLogP1.73
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide
CID 55740432
2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide
CID 131930346
N-(3-aminopropyl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 90647366
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 30731594
4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 78847831
(2R)-2-amino-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 56875780
6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide
CID 39430292
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 55479308
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 78770485
3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 51340136
2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide (CID 131899053) is 6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide is CC(C)Cc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)nc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is LYVQBKIIKITEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-15(2)12-16-13-17(23-19(26)22-16)18(25)21-14-20(6-4-3-5-7-20)24-8-10-27-11-9-24/h13,15H,3-12,14H2,1-2H3,(H,21,25)(H,22,23,26).
What are the key properties of 6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 131899053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).