2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine

C14H15ClN2 — CID 116546024

IUPAC2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine
SMILESCC(C)Cc1cccc(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C14H15ClN2/c1-10(2)8-11-4-3-5-12(9-11)13-6-7-16-14(15)17-13/h3-7,9-10H,8H2,1-2H3
InChIKeyQHZUHYPXJAESAU-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.00
Rot. Bonds3

About 2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine

2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine (PubChem CID 116546024) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine
PubChem CID116546024
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine
SMILESCC(C)Cc1cccc(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C14H15ClN2/c1-10(2)8-11-4-3-5-12(9-11)13-6-7-16-14(15)17-13/h3-7,9-10H,8H2,1-2H3
InChIKeyQHZUHYPXJAESAU-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine?
The IUPAC name of 2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine (CID 116546024) is 2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine?
The canonical SMILES for 2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine is CC(C)Cc1cccc(-c2ccnc(Cl)n2)c1.
What is the InChIKey of 2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine?
The InChIKey is QHZUHYPXJAESAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-10(2)8-11-4-3-5-12(9-11)13-6-7-16-14(15)17-13/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine?
2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine has a molecular weight of 246.74 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine is sourced from PubChem (CID 116546024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).