1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;hydrochloride

C7H11ClN2O2 — CID 173195611

IUPAC1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;hydrochloride
SMILESCc1ccn(CCO)c(=O)n1.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-6-2-3-9(4-5-10)7(11)8-6;/h2-3,10H,4-5H2,1H3;1H
InChIKeyUJVYEKVFSAGSHV-UHFFFAOYSA-N
MW190.63 g/mol
LogP-0.03
Rot. Bonds2

About 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;hydrochloride

1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;hydrochloride (PubChem CID 173195611) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;hydrochloride
PubChem CID173195611
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;hydrochloride
SMILESCc1ccn(CCO)c(=O)n1.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-6-2-3-9(4-5-10)7(11)8-6;/h2-3,10H,4-5H2,1H3;1H
InChIKeyUJVYEKVFSAGSHV-UHFFFAOYSA-N
XLogP-0.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;hydrochloride?
The IUPAC name of 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;hydrochloride (CID 173195611) is 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;hydrochloride.
What is the SMILES notation for 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;hydrochloride?
The canonical SMILES for 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;hydrochloride is Cc1ccn(CCO)c(=O)n1.Cl.
What is the InChIKey of 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;hydrochloride?
The InChIKey is UJVYEKVFSAGSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.ClH/c1-6-2-3-9(4-5-10)7(11)8-6;/h2-3,10H,4-5H2,1H3;1H.
What are the key properties of 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;hydrochloride?
1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;hydrochloride is sourced from PubChem (CID 173195611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).