5-amino-3-propylpyrimidin-4-one

C7H11N3O — CID 138585614

IUPAC5-amino-3-propylpyrimidin-4-one
SMILESCCCn1cncc(N)c1=O
InChIInChI=1S/C7H11N3O/c1-2-3-10-5-9-4-6(8)7(10)11/h4-5H,2-3,8H2,1H3
InChIKeyWKOMJKQPZXZEJJ-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.24
Rot. Bonds2

About 5-amino-3-propylpyrimidin-4-one

5-amino-3-propylpyrimidin-4-one (PubChem CID 138585614) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 5-amino-3-propylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-3-propylpyrimidin-4-one
PubChem CID138585614
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name5-amino-3-propylpyrimidin-4-one
SMILESCCCn1cncc(N)c1=O
InChIInChI=1S/C7H11N3O/c1-2-3-10-5-9-4-6(8)7(10)11/h4-5H,2-3,8H2,1H3
InChIKeyWKOMJKQPZXZEJJ-UHFFFAOYSA-N
XLogP0.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-propylpyrimidin-4-one?
The IUPAC name of 5-amino-3-propylpyrimidin-4-one (CID 138585614) is 5-amino-3-propylpyrimidin-4-one.
What is the SMILES notation for 5-amino-3-propylpyrimidin-4-one?
The canonical SMILES for 5-amino-3-propylpyrimidin-4-one is CCCn1cncc(N)c1=O.
What is the InChIKey of 5-amino-3-propylpyrimidin-4-one?
The InChIKey is WKOMJKQPZXZEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-3-10-5-9-4-6(8)7(10)11/h4-5H,2-3,8H2,1H3.
What are the key properties of 5-amino-3-propylpyrimidin-4-one?
5-amino-3-propylpyrimidin-4-one has a molecular weight of 153.19 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-propylpyrimidin-4-one is sourced from PubChem (CID 138585614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).