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

C14H23N3O2 — CID 136746833

IUPAC4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2CCCCC2CO)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-9(2)14-16-12(7-13(19)17-14)15-11-6-4-3-5-10(11)8-18/h7,9-11,18H,3-6,8H2,1-2H3,(H2,15,16,17,19)
InChIKeyXVNVSFNKKDYDKU-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.86
Rot. Bonds4

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

4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136746833) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136746833
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2CCCCC2CO)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-9(2)14-16-12(7-13(19)17-14)15-11-6-4-3-5-10(11)8-18/h7,9-11,18H,3-6,8H2,1-2H3,(H2,15,16,17,19)
InChIKeyXVNVSFNKKDYDKU-UHFFFAOYSA-N
XLogP1.86
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclooctylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973651
4-[(2,3-dimethylcyclopentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976044
1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136972367
cis-(1R,3S)-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136876806
4-[(2-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136998916
4-(2-cyclohexylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974200
4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 137015861
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368257
2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136976602
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975670
[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol
CID 133472380
4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136977753

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136746833) is 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NC2CCCCC2CO)cc(=O)[nH]1.
What is the InChIKey of 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is XVNVSFNKKDYDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(2)14-16-12(7-13(19)17-14)15-11-6-4-3-5-10(11)8-18/h7,9-11,18H,3-6,8H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136746833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).