1,3-bis(2-hydroxyethyl)-4-methyl-4H-pyrimidin-2-one;hydrochloride

C9H17ClN2O3 — CID 173182831

IUPAC1,3-bis(2-hydroxyethyl)-4-methyl-4H-pyrimidin-2-one;hydrochloride
SMILESCC1C=CN(CCO)C(=O)N1CCO.Cl
InChIInChI=1S/C9H16N2O3.ClH/c1-8-2-3-10(4-6-12)9(14)11(8)5-7-13;/h2-3,8,12-13H,4-7H2,1H3;1H
InChIKeyDQKARVOMJFNXQW-UHFFFAOYSA-N
MW236.70 g/mol
LogP0.03
Rot. Bonds4

About 1,3-bis(2-hydroxyethyl)-4-methyl-4H-pyrimidin-2-one;hydrochloride

1,3-bis(2-hydroxyethyl)-4-methyl-4H-pyrimidin-2-one;hydrochloride (PubChem CID 173182831) has the molecular formula C9H17ClN2O3 and a molecular weight of 236.70 g/mol. Its IUPAC name is 1,3-bis(2-hydroxyethyl)-4-methyl-4H-pyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name1,3-bis(2-hydroxyethyl)-4-methyl-4H-pyrimidin-2-one;hydrochloride
PubChem CID173182831
Molecular FormulaC9H17ClN2O3
Molecular Weight236.70 g/mol
Exact Mass236.09
IUPAC Name1,3-bis(2-hydroxyethyl)-4-methyl-4H-pyrimidin-2-one;hydrochloride
SMILESCC1C=CN(CCO)C(=O)N1CCO.Cl
InChIInChI=1S/C9H16N2O3.ClH/c1-8-2-3-10(4-6-12)9(14)11(8)5-7-13;/h2-3,8,12-13H,4-7H2,1H3;1H
InChIKeyDQKARVOMJFNXQW-UHFFFAOYSA-N
XLogP0.03
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxyethyl)-4-methyl-4H-pyrimidin-2-one;hydrochloride?
The IUPAC name of 1,3-bis(2-hydroxyethyl)-4-methyl-4H-pyrimidin-2-one;hydrochloride (CID 173182831) is 1,3-bis(2-hydroxyethyl)-4-methyl-4H-pyrimidin-2-one;hydrochloride.
What is the SMILES notation for 1,3-bis(2-hydroxyethyl)-4-methyl-4H-pyrimidin-2-one;hydrochloride?
The canonical SMILES for 1,3-bis(2-hydroxyethyl)-4-methyl-4H-pyrimidin-2-one;hydrochloride is CC1C=CN(CCO)C(=O)N1CCO.Cl.
What is the InChIKey of 1,3-bis(2-hydroxyethyl)-4-methyl-4H-pyrimidin-2-one;hydrochloride?
The InChIKey is DQKARVOMJFNXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3.ClH/c1-8-2-3-10(4-6-12)9(14)11(8)5-7-13;/h2-3,8,12-13H,4-7H2,1H3;1H.
What are the key properties of 1,3-bis(2-hydroxyethyl)-4-methyl-4H-pyrimidin-2-one;hydrochloride?
1,3-bis(2-hydroxyethyl)-4-methyl-4H-pyrimidin-2-one;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxyethyl)-4-methyl-4H-pyrimidin-2-one;hydrochloride is sourced from PubChem (CID 173182831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).