4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one

C10H17N3O2 — CID 136849677

IUPAC4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCC(C)(CCO)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O2/c1-3-10(2,4-5-14)13-8-6-9(15)12-7-11-8/h6-7,14H,3-5H2,1-2H3,(H2,11,12,13,15)
InChIKeyWCKRPLRHEQCKHY-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.73
Rot. Bonds5

About 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one

4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136849677) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136849677
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCC(C)(CCO)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O2/c1-3-10(2,4-5-14)13-8-6-9(15)12-7-11-8/h6-7,14H,3-5H2,1-2H3,(H2,11,12,13,15)
InChIKeyWCKRPLRHEQCKHY-UHFFFAOYSA-N
XLogP0.73
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-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-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704101
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730476
4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757525
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
5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849671
5-bromo-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849672
2-ethyl-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849673
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136849675
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136849678
5-chloro-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849679
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864263

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one (CID 136849677) is 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one is CCC(C)(CCO)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is WCKRPLRHEQCKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-10(2,4-5-14)13-8-6-9(15)12-7-11-8/h6-7,14H,3-5H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one?
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136849677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).