1,2-dihydropyrimidine;hydrochloride

C4H7ClN2 — CID 91884946

IUPAC1,2-dihydropyrimidine;hydrochloride
SMILESC1=CNCN=C1.Cl
InChIInChI=1S/C4H6N2.ClH/c1-2-5-4-6-3-1;/h1-3,5H,4H2;1H
InChIKeyMLHMUDFDKVHTEF-UHFFFAOYSA-N
MW118.57 g/mol
LogP0.55
Rot. Bonds

About 1,2-dihydropyrimidine;hydrochloride

1,2-dihydropyrimidine;hydrochloride (PubChem CID 91884946) has the molecular formula C4H7ClN2 and a molecular weight of 118.57 g/mol. Its IUPAC name is 1,2-dihydropyrimidine;hydrochloride.

Molecular Properties

Compound Name1,2-dihydropyrimidine;hydrochloride
PubChem CID91884946
Molecular FormulaC4H7ClN2
Molecular Weight118.57 g/mol
Exact Mass118.03
IUPAC Name1,2-dihydropyrimidine;hydrochloride
SMILESC1=CNCN=C1.Cl
InChIInChI=1S/C4H6N2.ClH/c1-2-5-4-6-3-1;/h1-3,5H,4H2;1H
InChIKeyMLHMUDFDKVHTEF-UHFFFAOYSA-N
XLogP0.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.57
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyrimidine;hydrochloride?
The IUPAC name of 1,2-dihydropyrimidine;hydrochloride (CID 91884946) is 1,2-dihydropyrimidine;hydrochloride.
What is the SMILES notation for 1,2-dihydropyrimidine;hydrochloride?
The canonical SMILES for 1,2-dihydropyrimidine;hydrochloride is C1=CNCN=C1.Cl.
What is the InChIKey of 1,2-dihydropyrimidine;hydrochloride?
The InChIKey is MLHMUDFDKVHTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.ClH/c1-2-5-4-6-3-1;/h1-3,5H,4H2;1H.
What are the key properties of 1,2-dihydropyrimidine;hydrochloride?
1,2-dihydropyrimidine;hydrochloride has a molecular weight of 118.57 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrimidine;hydrochloride is sourced from PubChem (CID 91884946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).