5-amino-3-propylpyrimidin-4-one;hydrochloride

C7H12ClN3O — CID 138585613

IUPAC5-amino-3-propylpyrimidin-4-one;hydrochloride
SMILESCCCn1cncc(N)c1=O.Cl
InChIInChI=1S/C7H11N3O.ClH/c1-2-3-10-5-9-4-6(8)7(10)11;/h4-5H,2-3,8H2,1H3;1H
InChIKeyQDAWZMXKLSZWOF-UHFFFAOYSA-N
MW189.65 g/mol
LogP0.66
Rot. Bonds2

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

5-amino-3-propylpyrimidin-4-one;hydrochloride (PubChem CID 138585613) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 5-amino-3-propylpyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name5-amino-3-propylpyrimidin-4-one;hydrochloride
PubChem CID138585613
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name5-amino-3-propylpyrimidin-4-one;hydrochloride
SMILESCCCn1cncc(N)c1=O.Cl
InChIInChI=1S/C7H11N3O.ClH/c1-2-3-10-5-9-4-6(8)7(10)11;/h4-5H,2-3,8H2,1H3;1H
InChIKeyQDAWZMXKLSZWOF-UHFFFAOYSA-N
XLogP0.66
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 50.66
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;hydrochloride?
The IUPAC name of 5-amino-3-propylpyrimidin-4-one;hydrochloride (CID 138585613) is 5-amino-3-propylpyrimidin-4-one;hydrochloride.
What is the SMILES notation for 5-amino-3-propylpyrimidin-4-one;hydrochloride?
The canonical SMILES for 5-amino-3-propylpyrimidin-4-one;hydrochloride is CCCn1cncc(N)c1=O.Cl.
What is the InChIKey of 5-amino-3-propylpyrimidin-4-one;hydrochloride?
The InChIKey is QDAWZMXKLSZWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.ClH/c1-2-3-10-5-9-4-6(8)7(10)11;/h4-5H,2-3,8H2,1H3;1H.
What are the key properties of 5-amino-3-propylpyrimidin-4-one;hydrochloride?
5-amino-3-propylpyrimidin-4-one;hydrochloride has a molecular weight of 189.65 g/mol, XLogP of 0.66, 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;hydrochloride is sourced from PubChem (CID 138585613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).