4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C16H28N4O — CID 136958280

IUPAC4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCNC1CCC(N(C)c2cc(=O)[nH]c(C(C)C)n2)CC1
InChIInChI=1S/C16H28N4O/c1-5-17-12-6-8-13(9-7-12)20(4)14-10-15(21)19-16(18-14)11(2)3/h10-13,17H,5-9H2,1-4H3,(H,18,19,21)
InChIKeyFANCGGUGIGTRGI-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.25
Rot. Bonds5

About 4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136958280) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136958280
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCNC1CCC(N(C)c2cc(=O)[nH]c(C(C)C)n2)CC1
InChIInChI=1S/C16H28N4O/c1-5-17-12-6-8-13(9-7-12)20(4)14-10-15(21)19-16(18-14)11(2)3/h10-13,17H,5-9H2,1-4H3,(H,18,19,21)
InChIKeyFANCGGUGIGTRGI-UHFFFAOYSA-N
XLogP2.25
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978540
4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136850118
4-[cyclopropylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009222
4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009650
4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136958273
4-[2-[cyclopropyl(methyl)amino]ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975550
4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136990017
4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979615
4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 137008098
2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 137009906
4-[(4-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973804
3-[ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
CID 137015758

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136958280) is 4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CCNC1CCC(N(C)c2cc(=O)[nH]c(C(C)C)n2)CC1.
What is the InChIKey of 4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FANCGGUGIGTRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-17-12-6-8-13(9-7-12)20(4)14-10-15(21)19-16(18-14)11(2)3/h10-13,17H,5-9H2,1-4H3,(H,18,19,21).
What are the key properties of 4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 292.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136958280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).