2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one

C15H25N3O — CID 136976602

IUPAC2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CCCCC2C(C)C)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O/c1-4-13-17-14(9-15(19)18-13)16-12-8-6-5-7-11(12)10(2)3/h9-12H,4-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyLFCNHGZFPJHKGG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.96
Rot. Bonds4

About 2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one (PubChem CID 136976602) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one
PubChem CID136976602
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CCCCC2C(C)C)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O/c1-4-13-17-14(9-15(19)18-13)16-12-8-6-5-7-11(12)10(2)3/h9-12H,4-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyLFCNHGZFPJHKGG-UHFFFAOYSA-N
XLogP2.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136977664
4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136977072
4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136957054
2-ethyl-4-[(1-ethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136974521
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136974971
2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778341
2-ethyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)-1H-pyrimidin-6-one
CID 136975495
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136746833
4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one
CID 103240537
2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136974286
4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
CID 137008677

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one (CID 136976602) is 2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one is CCc1nc(NC2CCCCC2C(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one?
The InChIKey is LFCNHGZFPJHKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-13-17-14(9-15(19)18-13)16-12-8-6-5-7-11(12)10(2)3/h9-12H,4-8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one has a molecular weight of 263.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).