2-propyl-1H-pyrimidin-6-one;hydrochloride

C7H11ClN2O — CID 21444389

IUPAC2-propyl-1H-pyrimidin-6-one;hydrochloride
SMILESCCCc1nccc(=O)[nH]1.Cl
InChIInChI=1S/C7H10N2O.ClH/c1-2-3-6-8-5-4-7(10)9-6;/h4-5H,2-3H2,1H3,(H,8,9,10);1H
InChIKeyZSCLURVNAQBUES-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.14
Rot. Bonds2

About 2-propyl-1H-pyrimidin-6-one;hydrochloride

2-propyl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 21444389) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 2-propyl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2-propyl-1H-pyrimidin-6-one;hydrochloride
PubChem CID21444389
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name2-propyl-1H-pyrimidin-6-one;hydrochloride
SMILESCCCc1nccc(=O)[nH]1.Cl
InChIInChI=1S/C7H10N2O.ClH/c1-2-3-6-8-5-4-7(10)9-6;/h4-5H,2-3H2,1H3,(H,8,9,10);1H
InChIKeyZSCLURVNAQBUES-UHFFFAOYSA-N
XLogP1.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 2-propyl-1H-pyrimidin-6-one;hydrochloride (CID 21444389) is 2-propyl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2-propyl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2-propyl-1H-pyrimidin-6-one;hydrochloride is CCCc1nccc(=O)[nH]1.Cl.
What is the InChIKey of 2-propyl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is ZSCLURVNAQBUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.ClH/c1-2-3-6-8-5-4-7(10)9-6;/h4-5H,2-3H2,1H3,(H,8,9,10);1H.
What are the key properties of 2-propyl-1H-pyrimidin-6-one;hydrochloride?
2-propyl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 174.63 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 21444389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).