4-(2-chloroethyl)-2-methylpyrimidine

C7H9ClN2 — CID 115529496

IUPAC4-(2-chloroethyl)-2-methylpyrimidine
SMILESCc1nccc(CCCl)n1
InChIInChI=1S/C7H9ClN2/c1-6-9-5-3-7(10-6)2-4-8/h3,5H,2,4H2,1H3
InChIKeyHJORJCUMPOUTNX-UHFFFAOYSA-N
MW156.62 g/mol
LogP1.57
Rot. Bonds2

About 4-(2-chloroethyl)-2-methylpyrimidine

4-(2-chloroethyl)-2-methylpyrimidine (PubChem CID 115529496) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 4-(2-chloroethyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-(2-chloroethyl)-2-methylpyrimidine
PubChem CID115529496
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name4-(2-chloroethyl)-2-methylpyrimidine
SMILESCc1nccc(CCCl)n1
InChIInChI=1S/C7H9ClN2/c1-6-9-5-3-7(10-6)2-4-8/h3,5H,2,4H2,1H3
InChIKeyHJORJCUMPOUTNX-UHFFFAOYSA-N
XLogP1.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride
CID 129319573
2-methyl-4-(3-methylbutyl)pyrimidine
CID 143330492
N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine
CID 115529481
3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 61016398
2-(2-chloroethyl)-7-methyl-3-[(2-methylpyrimidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79277501
4-(2-chloro-3-methylbutyl)-2-methylpyrimidine
CID 63203137
4-(cyclopropylmethyl)-2-methylpyrimidine
CID 123281493
2-(2-chloroethyl)-6-fluoro-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole
CID 62377393
4-(2-bromobutyl)-2-methylpyrimidine
CID 63203331
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
4-(3-chloropropylsulfanyl)-2-methylpyrimidine
CID 66127843
3,3-dimethyl-1-(2-methylpyrimidin-4-yl)butan-2-one
CID 63199109

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-2-methylpyrimidine?
The IUPAC name of 4-(2-chloroethyl)-2-methylpyrimidine (CID 115529496) is 4-(2-chloroethyl)-2-methylpyrimidine.
What is the SMILES notation for 4-(2-chloroethyl)-2-methylpyrimidine?
The canonical SMILES for 4-(2-chloroethyl)-2-methylpyrimidine is Cc1nccc(CCCl)n1.
What is the InChIKey of 4-(2-chloroethyl)-2-methylpyrimidine?
The InChIKey is HJORJCUMPOUTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-6-9-5-3-7(10-6)2-4-8/h3,5H,2,4H2,1H3.
What are the key properties of 4-(2-chloroethyl)-2-methylpyrimidine?
4-(2-chloroethyl)-2-methylpyrimidine has a molecular weight of 156.62 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-2-methylpyrimidine is sourced from PubChem (CID 115529496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).