5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one

C8H14N4O — CID 136973510

IUPAC5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
SMILESCC(C)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O/c1-5(2)3-10-7-6(9)8(13)12-4-11-7/h4-5H,3,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyFEFSLONXENXULT-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.42
Rot. Bonds3

About 5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one

5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one (PubChem CID 136973510) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
PubChem CID136973510
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
SMILESCC(C)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O/c1-5(2)3-10-7-6(9)8(13)12-4-11-7/h4-5H,3,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyFEFSLONXENXULT-UHFFFAOYSA-N
XLogP0.42
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-4-(2-methylpropylamino)-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

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one (CID 136973510) is 5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one is CC(C)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one?
The InChIKey is FEFSLONXENXULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5(2)3-10-7-6(9)8(13)12-4-11-7/h4-5H,3,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one?
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one has a molecular weight of 182.23 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).