2-chloro-5-methyl-1,4-dihydropyrimidine

C5H7ClN2 — CID 122675192

IUPAC2-chloro-5-methyl-1,4-dihydropyrimidine
SMILESCC1=CNC(Cl)=NC1
InChIInChI=1S/C5H7ClN2/c1-4-2-7-5(6)8-3-4/h2H,3H2,1H3,(H,7,8)
InChIKeyMKLAPZHIJGGPFN-UHFFFAOYSA-N
MW130.58 g/mol
LogP1.09
Rot. Bonds

About 2-chloro-5-methyl-1,4-dihydropyrimidine

2-chloro-5-methyl-1,4-dihydropyrimidine (PubChem CID 122675192) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 2-chloro-5-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-1,4-dihydropyrimidine
PubChem CID122675192
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name2-chloro-5-methyl-1,4-dihydropyrimidine
SMILESCC1=CNC(Cl)=NC1
InChIInChI=1S/C5H7ClN2/c1-4-2-7-5(6)8-3-4/h2H,3H2,1H3,(H,7,8)
InChIKeyMKLAPZHIJGGPFN-UHFFFAOYSA-N
XLogP1.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-5-fluoro-1,4-dihydropyrimidine
CID 129136206
2-Fluoro-5-methyl-1,4-dihydropyrimidine
CID 147028247
5-Chloro-2-fluoro-1,4-dihydropyrimidine
CID 173399153
5-Methyl-1,4-dihydropyrimidine
CID 57014191
5-Methyl-1,4-dihydropyrimidin-2-amine
CID 68310657
2-Chloro-1,4-dihydropyrimidine
CID 69180195
2,4-Dichloro-5-methyl-1,4-dihydropyrimidine
CID 89256540
N,5-dimethyl-1,4-dihydropyrimidin-4-amine
CID 90452820
5-Chloro-1,4-dihydropyrimidine
CID 90718786
2-Chloro-5-ethyl-1,4-dihydropyrimidine
CID 90758518
2-Chloro-4,5-dimethyl-1,4-dihydropyrimidine
CID 90870091
4-Chloro-5-methyl-1,4-dihydropyrimidine
CID 91420288

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-1,4-dihydropyrimidine?
The IUPAC name of 2-chloro-5-methyl-1,4-dihydropyrimidine (CID 122675192) is 2-chloro-5-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 2-chloro-5-methyl-1,4-dihydropyrimidine is CC1=CNC(Cl)=NC1.
What is the InChIKey of 2-chloro-5-methyl-1,4-dihydropyrimidine?
The InChIKey is MKLAPZHIJGGPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2/c1-4-2-7-5(6)8-3-4/h2H,3H2,1H3,(H,7,8).
What are the key properties of 2-chloro-5-methyl-1,4-dihydropyrimidine?
2-chloro-5-methyl-1,4-dihydropyrimidine has a molecular weight of 130.58 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 122675192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).