4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one

C9H15N3O2 — CID 136957299

IUPAC4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(CCO)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-9(2,3-4-13)12-7-5-8(14)11-6-10-7/h5-6,13H,3-4H2,1-2H3,(H2,10,11,12,14)
InChIKeyPRANWNUXYCLTLU-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.34
Rot. Bonds4

About 4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one

4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136957299) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136957299
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(CCO)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-9(2,3-4-13)12-7-5-8(14)11-6-10-7/h5-6,13H,3-4H2,1-2H3,(H2,10,11,12,14)
InChIKeyPRANWNUXYCLTLU-UHFFFAOYSA-N
XLogP0.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one
CID 135453817
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730476
4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772474
4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847961
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847970
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849677
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136849678
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857355
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864263
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
CID 136866839
4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136871933
4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
CID 136871935

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136957299) is 4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is CC(C)(CCO)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is PRANWNUXYCLTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,3-4-13)12-7-5-8(14)11-6-10-7/h5-6,13H,3-4H2,1-2H3,(H2,10,11,12,14).
What are the key properties of 4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).