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

C11H19N3O2 — CID 136956907

IUPAC4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CC(C)(O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-8(2)5-11(3,16)6-12-9-4-10(15)14-7-13-9/h4,7-8,16H,5-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyIOAXOCXCHGMCPZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.98
Rot. Bonds5

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

4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136956907) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
PubChem CID136956907
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CC(C)(O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-8(2)5-11(3,16)6-12-9-4-10(15)14-7-13-9/h4,7-8,16H,5-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyIOAXOCXCHGMCPZ-UHFFFAOYSA-N
XLogP0.98
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696650
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703828
4-[(2-hydroxy-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136703835
4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703837
4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817758
4-[(2-hydroxy-2-methylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136819385
5-bromo-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819387
5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819388
4-[(2-hydroxy-2-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136819389
4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819391
4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136819392

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one (CID 136956907) is 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one is CC(C)CC(C)(O)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is IOAXOCXCHGMCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)5-11(3,16)6-12-9-4-10(15)14-7-13-9/h4,7-8,16H,5-6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one?
4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).