4-chloro-6-(3-methylphenyl)-2-propylpyrimidine

C14H15ClN2 — CID 80946541

IUPAC4-chloro-6-(3-methylphenyl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-c2cccc(C)c2)n1
InChIInChI=1S/C14H15ClN2/c1-3-5-14-16-12(9-13(15)17-14)11-7-4-6-10(2)8-11/h4,6-9H,3,5H2,1-2H3
InChIKeyQGNWBRLBUBORRQ-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.06
Rot. Bonds3

About 4-chloro-6-(3-methylphenyl)-2-propylpyrimidine

4-chloro-6-(3-methylphenyl)-2-propylpyrimidine (PubChem CID 80946541) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-chloro-6-(3-methylphenyl)-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-methylphenyl)-2-propylpyrimidine
PubChem CID80946541
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name4-chloro-6-(3-methylphenyl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-c2cccc(C)c2)n1
InChIInChI=1S/C14H15ClN2/c1-3-5-14-16-12(9-13(15)17-14)11-7-4-6-10(2)8-11/h4,6-9H,3,5H2,1-2H3
InChIKeyQGNWBRLBUBORRQ-UHFFFAOYSA-N
XLogP4.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methylphenyl)-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(3-methylphenyl)-2-propylpyrimidine (CID 80946541) is 4-chloro-6-(3-methylphenyl)-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-methylphenyl)-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-methylphenyl)-2-propylpyrimidine is CCCc1nc(Cl)cc(-c2cccc(C)c2)n1.
What is the InChIKey of 4-chloro-6-(3-methylphenyl)-2-propylpyrimidine?
The InChIKey is QGNWBRLBUBORRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-3-5-14-16-12(9-13(15)17-14)11-7-4-6-10(2)8-11/h4,6-9H,3,5H2,1-2H3.
What are the key properties of 4-chloro-6-(3-methylphenyl)-2-propylpyrimidine?
4-chloro-6-(3-methylphenyl)-2-propylpyrimidine has a molecular weight of 246.74 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methylphenyl)-2-propylpyrimidine is sourced from PubChem (CID 80946541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).