6-amino-1,3-dimethyl-5-propylpyrimidine-2,4-dione

C9H15N3O2 — CID 816906

IUPAC6-amino-1,3-dimethyl-5-propylpyrimidine-2,4-dione
SMILESCCCc1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H15N3O2/c1-4-5-6-7(10)11(2)9(14)12(3)8(6)13/h4-5,10H2,1-3H3
InChIKeyATYLTFZYDCZYPO-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.38
Rot. Bonds2

About 6-amino-1,3-dimethyl-5-propylpyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-propylpyrimidine-2,4-dione (PubChem CID 816906) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-propylpyrimidine-2,4-dione
PubChem CID816906
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name6-amino-1,3-dimethyl-5-propylpyrimidine-2,4-dione
SMILESCCCc1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H15N3O2/c1-4-5-6-7(10)11(2)9(14)12(3)8(6)13/h4-5,10H2,1-3H3
InChIKeyATYLTFZYDCZYPO-UHFFFAOYSA-N
XLogP-0.38
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-propylpyrimidine-2,4-dione (CID 816906) is 6-amino-1,3-dimethyl-5-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-propylpyrimidine-2,4-dione is CCCc1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-propylpyrimidine-2,4-dione?
The InChIKey is ATYLTFZYDCZYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-5-6-7(10)11(2)9(14)12(3)8(6)13/h4-5,10H2,1-3H3.
What are the key properties of 6-amino-1,3-dimethyl-5-propylpyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-propylpyrimidine-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-propylpyrimidine-2,4-dione is sourced from PubChem (CID 816906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).