4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one

C12H21N3O2 — CID 136987605

IUPAC4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC(C)(C)CCCO)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-9-14-10(7-11(17)15-9)13-8-12(2,3)5-4-6-16/h7,16H,4-6,8H2,1-3H3,(H2,13,14,15,17)
InChIKeyKRUYNQOASCMXRM-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.29
Rot. Bonds6

About 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136987605) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136987605
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC(C)(C)CCCO)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-9-14-10(7-11(17)15-9)13-8-12(2,3)5-4-6-16/h7,16H,4-6,8H2,1-3H3,(H2,13,14,15,17)
InChIKeyKRUYNQOASCMXRM-UHFFFAOYSA-N
XLogP1.29
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136849675
2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one
CID 136977126
N,2,2-trimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 137003214
2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid
CID 136972300
2-ethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid
CID 136972236
7-[(5-hydroxy-2,2-dimethylpentyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106144949
2-methyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137015545
4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136857346
2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one
CID 135406826
6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid
CID 106148798
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136955912

Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136987605) is 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCC(C)(C)CCCO)cc(=O)[nH]1.
What is the InChIKey of 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KRUYNQOASCMXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9-14-10(7-11(17)15-9)13-8-12(2,3)5-4-6-16/h7,16H,4-6,8H2,1-3H3,(H2,13,14,15,17).
What are the key properties of 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136987605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).