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

C11H19N3O2 — CID 136703828

IUPAC4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(C)CC(O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-11(2,3)5-8(15)6-12-9-4-10(16)14-7-13-9/h4,7-8,15H,5-6H2,1-3H3,(H2,12,13,14,16)
InChIKeyFTPCETPRBHNXHG-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.98
Rot. Bonds4

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

4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136703828) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
PubChem CID136703828
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(C)CC(O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-11(2,3)5-8(15)6-12-9-4-10(16)14-7-13-9/h4,7-8,15H,5-6H2,1-3H3,(H2,12,13,14,16)
InChIKeyFTPCETPRBHNXHG-UHFFFAOYSA-N
XLogP0.98
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136703822
2-cyclopropyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703823
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703824
5-chloro-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703825
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136703826
5-bromo-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703829
2-ethyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703830
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703831
4-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703833
5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703834
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

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one (CID 136703828) is 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one is CC(C)(C)CC(O)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is FTPCETPRBHNXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)5-8(15)6-12-9-4-10(16)14-7-13-9/h4,7-8,15H,5-6H2,1-3H3,(H2,12,13,14,16).
What are the key properties of 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one?
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136703828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).