4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C13H23N3O2 — CID 136870595

IUPAC4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC(C)(C)C(C)(C)O)cc(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-8(2)11-14-9(7-10(17)15-11)16-12(3,4)13(5,6)18/h7-8,18H,1-6H3,(H2,14,15,16,17)
InChIKeyPRHBXLFDBGTHHP-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.85
Rot. Bonds4

About 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136870595) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136870595
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC(C)(C)C(C)(C)O)cc(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-8(2)11-14-9(7-10(17)15-11)16-12(3,4)13(5,6)18/h7-8,18H,1-6H3,(H2,14,15,16,17)
InChIKeyPRHBXLFDBGTHHP-UHFFFAOYSA-N
XLogP1.85
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136870595) is 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NC(C)(C)C(C)(C)O)cc(=O)[nH]1.
What is the InChIKey of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is PRHBXLFDBGTHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-8(2)11-14-9(7-10(17)15-11)16-12(3,4)13(5,6)18/h7-8,18H,1-6H3,(H2,14,15,16,17).
What are the key properties of 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 253.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136870595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).