4-[(1-hydroxy-2-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one

C10H17N3O3 — CID 136975987

IUPAC4-[(1-hydroxy-2-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(C)(CO)Nc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H17N3O3/c1-4-10(2,5-14)13-8-7(16-3)9(15)12-6-11-8/h6,14H,4-5H2,1-3H3,(H2,11,12,13,15)
InChIKeyPREIOBCYHYGAQS-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.35
Rot. Bonds5

About 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(1-hydroxy-2-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136975987) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-hydroxy-2-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136975987
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-[(1-hydroxy-2-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(C)(CO)Nc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H17N3O3/c1-4-10(2,5-14)13-8-7(16-3)9(15)12-6-11-8/h6,14H,4-5H2,1-3H3,(H2,11,12,13,15)
InChIKeyPREIOBCYHYGAQS-UHFFFAOYSA-N
XLogP0.35
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114586480
4-(2-amino-2-methylbutoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114586489
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703831
4-[(2-hydroxy-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703840
5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757518
4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136759211
4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136772465
4-[(3-ethyl-2-hydroxypentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136817764
4-[(2-hydroxy-2-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136819386
4-[(1-hydroxy-4-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136847964
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136847972
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136849670

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136975987) is 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one is CCC(C)(CO)Nc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is PREIOBCYHYGAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-4-10(2,5-14)13-8-7(16-3)9(15)12-6-11-8/h6,14H,4-5H2,1-3H3,(H2,11,12,13,15).
What are the key properties of 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(1-hydroxy-2-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136975987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).