5-amino-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one

C11H20N4O — CID 136852201

IUPAC5-amino-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one
SMILESCC(C)C(C)(C)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H20N4O/c1-7(2)11(3,4)5-13-9-8(12)10(16)15-6-14-9/h6-7H,5,12H2,1-4H3,(H2,13,14,15,16)
InChIKeyXNJYOWIFMRYGQK-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.45
Rot. Bonds4

About 5-amino-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one

5-amino-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one (PubChem CID 136852201) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-amino-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one
PubChem CID136852201
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-amino-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one
SMILESCC(C)C(C)(C)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H20N4O/c1-7(2)11(3,4)5-13-9-8(12)10(16)15-6-14-9/h6-7H,5,12H2,1-4H3,(H2,13,14,15,16)
InChIKeyXNJYOWIFMRYGQK-UHFFFAOYSA-N
XLogP1.45
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-4-(2,2,3-trimethylbutylamino)-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

5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 135568285
5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135568292
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-amino-4-(butylamino)-1H-pyrimidin-6-one
CID 135786480
5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723579
5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723590
5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750473
5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136757150
5-amino-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768850
5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
CID 136780757
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136784835

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one (CID 136852201) is 5-amino-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one is CC(C)C(C)(C)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one?
The InChIKey is XNJYOWIFMRYGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)11(3,4)5-13-9-8(12)10(16)15-6-14-9/h6-7H,5,12H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 5-amino-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one?
5-amino-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one has a molecular weight of 224.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136852201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).