1-methyl-1,2-dihydropyrimidin-1-ium chloride

C5H9ClN2 — CID 133083654

IUPAC1-methyl-1,2-dihydropyrimidin-1-ium chloride
SMILESC[NH+]1C=CC=NC1.[Cl-]
InChIInChI=1S/C5H8N2.ClH/c1-7-4-2-3-6-5-7;/h2-4H,5H2,1H3;1H
InChIKeyOCCGDLYOUYISRK-UHFFFAOYSA-N
MW132.59 g/mol
LogP-3.94
Rot. Bonds

About 1-methyl-1,2-dihydropyrimidin-1-ium chloride

1-methyl-1,2-dihydropyrimidin-1-ium chloride (PubChem CID 133083654) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is 1-methyl-1,2-dihydropyrimidin-1-ium chloride.

Molecular Properties

Compound Name1-methyl-1,2-dihydropyrimidin-1-ium chloride
PubChem CID133083654
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name1-methyl-1,2-dihydropyrimidin-1-ium chloride
SMILESC[NH+]1C=CC=NC1.[Cl-]
InChIInChI=1S/C5H8N2.ClH/c1-7-4-2-3-6-5-7;/h2-4H,5H2,1H3;1H
InChIKeyOCCGDLYOUYISRK-UHFFFAOYSA-N
XLogP-3.94
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 5-3.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dihydropyrimidine
CID 1056
Dihydropyrimidinamin
CID 5231612
Dihydropyrimidinecarbonitrile
CID 17882608
1-Methylpyrimidine
CID 18974088
Pyrimidine, 1,2-dihydro-2-methylene-(9CI)
CID 21458438
N,S-dimethyl-dihydropyrimidine
CID 22604951
n-Vinylpyrimidine
CID 23364352
Dihydropyrimidine hydrochloride
CID 91884946
N-methyl-2-aminopyrimidine
CID 121273779
1H-pyrimidiniumchloride
CID 129648134
N-(aminomethyl)pyrimidine
CID 129708235
N-isopropyl-2-amino-pyrimidine
CID 129730017

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2-dihydropyrimidin-1-ium chloride?
The IUPAC name of 1-methyl-1,2-dihydropyrimidin-1-ium chloride (CID 133083654) is 1-methyl-1,2-dihydropyrimidin-1-ium chloride.
What is the SMILES notation for 1-methyl-1,2-dihydropyrimidin-1-ium chloride?
The canonical SMILES for 1-methyl-1,2-dihydropyrimidin-1-ium chloride is C[NH+]1C=CC=NC1.[Cl-].
What is the InChIKey of 1-methyl-1,2-dihydropyrimidin-1-ium chloride?
The InChIKey is OCCGDLYOUYISRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.ClH/c1-7-4-2-3-6-5-7;/h2-4H,5H2,1H3;1H.
What are the key properties of 1-methyl-1,2-dihydropyrimidin-1-ium chloride?
1-methyl-1,2-dihydropyrimidin-1-ium chloride has a molecular weight of 132.59 g/mol, XLogP of -3.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2-dihydropyrimidin-1-ium chloride is sourced from PubChem (CID 133083654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).