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

C15H25N3O2 — CID 136976199

IUPAC4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2CCCCC2CO)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O2/c1-10(2)15-17-13(7-14(20)18-15)16-8-11-5-3-4-6-12(11)9-19/h7,10-12,19H,3-6,8-9H2,1-2H3,(H2,16,17,18,20)
InChIKeyRGVGQWMAPWESQV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.10
Rot. Bonds5

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

4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136976199) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136976199
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2CCCCC2CO)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O2/c1-10(2)15-17-13(7-14(20)18-15)16-8-11-5-3-4-6-12(11)9-19/h7,10-12,19H,3-6,8-9H2,1-2H3,(H2,16,17,18,20)
InChIKeyRGVGQWMAPWESQV-UHFFFAOYSA-N
XLogP2.10
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one
CID 102173258
2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one
CID 102173259
2-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one
CID 102173262
2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one
CID 102173263
4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one
CID 114586521
4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586523
4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-methyl-1H-pyrimidin-6-one
CID 114586525
4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097
2-cyclopropyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704098
2-ethyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704104
2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746829
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136746830

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136976199) is 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCC2CCCCC2CO)cc(=O)[nH]1.
What is the InChIKey of 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is RGVGQWMAPWESQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)15-17-13(7-14(20)18-15)16-8-11-5-3-4-6-12(11)9-19/h7,10-12,19H,3-6,8-9H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136976199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).