4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C15H25N3O2 — CID 136979615

IUPAC4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(CCO)C2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O2/c1-11(2)15-16-13(10-14(20)17-15)18(8-9-19)12-6-4-3-5-7-12/h10-12,19H,3-9H2,1-2H3,(H,16,17,20)
InChIKeyJNXZKZFIJBQSEH-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.02
Rot. Bonds5

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

4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136979615) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136979615
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(CCO)C2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O2/c1-11(2)15-16-13(10-14(20)17-15)18(8-9-19)12-6-4-3-5-7-12/h10-12,19H,3-9H2,1-2H3,(H,16,17,20)
InChIKeyJNXZKZFIJBQSEH-UHFFFAOYSA-N
XLogP2.02
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136827336
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80961504
4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009650
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136737796
4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136850118
4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978540
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382
4-[cyclopropylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009222
2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol
CID 80810818
2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclohexylamino]ethanol
CID 114765171
2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 61147636
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80811563

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136979615) is 4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N(CCO)C2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JNXZKZFIJBQSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)15-16-13(10-14(20)17-15)18(8-9-19)12-6-4-3-5-7-12/h10-12,19H,3-9H2,1-2H3,(H,16,17,20).
What are the key properties of 4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136979615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).