6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione

C8H14N4O2 — CID 14406894

IUPAC6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione
SMILESCCCNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-3-4-10-5-6(9)12(2)8(14)11-7(5)13/h10H,3-4,9H2,1-2H3,(H,11,13,14)
InChIKeyPXXPWRGFQVGQAZ-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.52
Rot. Bonds3

About 6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione

6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione (PubChem CID 14406894) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione
PubChem CID14406894
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione
SMILESCCCNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-3-4-10-5-6(9)12(2)8(14)11-7(5)13/h10H,3-4,9H2,1-2H3,(H,11,13,14)
InChIKeyPXXPWRGFQVGQAZ-UHFFFAOYSA-N
XLogP-0.52
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione 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 6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione (CID 14406894) is 6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione is CCCNc1c(N)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione?
The InChIKey is PXXPWRGFQVGQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-4-10-5-6(9)12(2)8(14)11-7(5)13/h10H,3-4,9H2,1-2H3,(H,11,13,14).
What are the key properties of 6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione?
6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione has a molecular weight of 198.23 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 14406894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).