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

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Related Compounds

Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-
CID 77953
2-chloro-1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium
CID 11389772
2-(chloromethyl)-1-methyl-5,6-dihydro-4H-pyrimidine
CID 13633306
1,4,5,6-Tetrahydro-1,2,4-trimethylpyrimidine
CID 40795
1,2,3-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium
CID 499194
1-Ethyl-1,4,5,6-tetrahydro-2-methylpyrimidine
CID 12762324
2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
CID 12860757
2-methyl-1-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine
CID 14457264
1-methyl-2-propyl-5,6-dihydro-4H-pyrimidine
CID 15085001
1-ethyl-5,6-dihydro-4H-pyrimidine
CID 15260250
1-ethyl-3-methyl-5,6-dihydro-4H-pyrimidin-3-ium
CID 15275170
2-methyl-1-sulfanyl-5,6-dihydro-4H-pyrimidine
CID 20217718

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).