2-tert-butyl-N-(cyclohexylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide

C16H25N3O2 — CID 70717162

IUPAC2-tert-butyl-N-(cyclohexylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCC2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)15-18-10-12(14(21)19-15)13(20)17-9-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,17,20)(H,18,19,21)
InChIKeyZGCXXHKAFUTLGO-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.38
Rot. Bonds3

About 2-tert-butyl-N-(cyclohexylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide

2-tert-butyl-N-(cyclohexylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70717162) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-tert-butyl-N-(cyclohexylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(cyclohexylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70717162
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-tert-butyl-N-(cyclohexylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCC2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)15-18-10-12(14(21)19-15)13(20)17-9-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,17,20)(H,18,19,21)
InChIKeyZGCXXHKAFUTLGO-UHFFFAOYSA-N
XLogP2.38
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide
CID 18682011
6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide
CID 18682015
2-cyclohexyl-5-methyl-1H-pyrimidin-6-one
CID 59473971
5-(3,9-diazaspiro[5.6]dodec-9-ylcarbonyl)-2-isopropylpyrimidin-4(3H)-one
CID 56720872
2-(1-adamantyl)-N-[3-(dimethylamino)-2-methylpropyl]-4-hydroxypyrimidine-5-carboxamide
CID 70721509
2-(1-adamantyl)-4-hydroxy-N-[4-(methylamino)-4-oxobutyl]pyrimidine-5-carboxamide
CID 70755022
2-(1-adamantyl)-N-(3-aminopropyl)-4-hydroxypyrimidine-5-carboxamide
CID 72886406
2-(1-adamantyl)-4-hydroxy-N-[4-(methylamino)butyl]pyrimidine-5-carboxamide
CID 72892007
5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one
CID 82507340
2-cyclohexyl-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 84130400
2-(1-adamantyl)-N-[(2S)-3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97117981
2-(1-adamantyl)-N-[(2R)-3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97117982

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(cyclohexylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-(cyclohexylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 70717162) is 2-tert-butyl-N-(cyclohexylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(cyclohexylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(cyclohexylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide is CC(C)(C)c1ncc(C(=O)NCC2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 2-tert-butyl-N-(cyclohexylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ZGCXXHKAFUTLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)15-18-10-12(14(21)19-15)13(20)17-9-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,17,20)(H,18,19,21).
What are the key properties of 2-tert-butyl-N-(cyclohexylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-tert-butyl-N-(cyclohexylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(cyclohexylmethyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70717162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).