4-chloro-6-methylpyrimidine

C5H5ClN2 — CID 581796

IUPAC4-chloro-6-methylpyrimidine
SMILESCc1cc(Cl)ncn1
InChIInChI=1S/C5H5ClN2/c1-4-2-5(6)8-3-7-4/h2-3H,1H3
InChIKeyMVAXKFAQKTWRAH-UHFFFAOYSA-N
MW128.56 g/mol
LogP1.44
Rot. Bonds

About 4-chloro-6-methylpyrimidine

4-chloro-6-methylpyrimidine (PubChem CID 581796) has the molecular formula C5H5ClN2 and a molecular weight of 128.56 g/mol. Its IUPAC name is 4-chloro-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-methylpyrimidine
PubChem CID581796
Molecular FormulaC5H5ClN2
Molecular Weight128.56 g/mol
Exact Mass128.01
IUPAC Name4-chloro-6-methylpyrimidine
SMILESCc1cc(Cl)ncn1
InChIInChI=1S/C5H5ClN2/c1-4-2-5(6)8-3-7-4/h2-3H,1H3
InChIKeyMVAXKFAQKTWRAH-UHFFFAOYSA-N
XLogP1.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.56
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methylpyrimidine?
The IUPAC name of 4-chloro-6-methylpyrimidine (CID 581796) is 4-chloro-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-methylpyrimidine?
The canonical SMILES for 4-chloro-6-methylpyrimidine is Cc1cc(Cl)ncn1.
What is the InChIKey of 4-chloro-6-methylpyrimidine?
The InChIKey is MVAXKFAQKTWRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2/c1-4-2-5(6)8-3-7-4/h2-3H,1H3.
What are the key properties of 4-chloro-6-methylpyrimidine?
4-chloro-6-methylpyrimidine has a molecular weight of 128.56 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methylpyrimidine is sourced from PubChem (CID 581796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).