1,2-dimethyl-5,6-dihydro-4H-pyrimidine;hydrochloride

C6H13ClN2 — CID 91995367

IUPAC1,2-dimethyl-5,6-dihydro-4H-pyrimidine;hydrochloride
SMILESCC1=NCCCN1C.Cl
InChIInChI=1S/C6H12N2.ClH/c1-6-7-4-3-5-8(6)2;/h3-5H2,1-2H3;1H
InChIKeyZUQRDCBDTJEOGY-UHFFFAOYSA-N
MW148.64 g/mol
LogP1.16
Rot. Bonds

About 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;hydrochloride

1,2-dimethyl-5,6-dihydro-4H-pyrimidine;hydrochloride (PubChem CID 91995367) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;hydrochloride.

Molecular Properties

Compound Name1,2-dimethyl-5,6-dihydro-4H-pyrimidine;hydrochloride
PubChem CID91995367
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC Name1,2-dimethyl-5,6-dihydro-4H-pyrimidine;hydrochloride
SMILESCC1=NCCCN1C.Cl
InChIInChI=1S/C6H12N2.ClH/c1-6-7-4-3-5-8(6)2;/h3-5H2,1-2H3;1H
InChIKeyZUQRDCBDTJEOGY-UHFFFAOYSA-N
XLogP1.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.64
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;hydrochloride?
The IUPAC name of 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;hydrochloride (CID 91995367) is 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;hydrochloride.
What is the SMILES notation for 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;hydrochloride?
The canonical SMILES for 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;hydrochloride is CC1=NCCCN1C.Cl.
What is the InChIKey of 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;hydrochloride?
The InChIKey is ZUQRDCBDTJEOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.ClH/c1-6-7-4-3-5-8(6)2;/h3-5H2,1-2H3;1H.
What are the key properties of 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;hydrochloride?
1,2-dimethyl-5,6-dihydro-4H-pyrimidine;hydrochloride has a molecular weight of 148.64 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;hydrochloride is sourced from PubChem (CID 91995367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).