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

C13H21N3O2 — CID 136746822

IUPAC4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2CCCC2CO)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-8(2)13-15-11(6-12(18)16-13)14-10-5-3-4-9(10)7-17/h6,8-10,17H,3-5,7H2,1-2H3,(H2,14,15,16,18)
InChIKeyINCKZGYQOMCMME-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds4

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

4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136746822) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136746822
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2CCCC2CO)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-8(2)13-15-11(6-12(18)16-13)14-10-5-3-4-9(10)7-17/h6,8-10,17H,3-5,7H2,1-2H3,(H2,14,15,16,18)
InChIKeyINCKZGYQOMCMME-UHFFFAOYSA-N
XLogP1.47
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746818
4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136746819
2-cyclopropyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746825
4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746827
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
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136746833
2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746836
4-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136847963

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136746822) is 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NC2CCCC2CO)cc(=O)[nH]1.
What is the InChIKey of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is INCKZGYQOMCMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)13-15-11(6-12(18)16-13)14-10-5-3-4-9(10)7-17/h6,8-10,17H,3-5,7H2,1-2H3,(H2,14,15,16,18).
What are the key properties of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136746822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).