4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine

C14H16ClN3 — CID 81313415

IUPAC4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine
SMILESCc1ccc(-c2nc(Cl)cc(CC(C)C)n2)nc1
InChIInChI=1S/C14H16ClN3/c1-9(2)6-11-7-13(15)18-14(17-11)12-5-4-10(3)8-16-12/h4-5,7-9H,6H2,1-3H3
InChIKeyICJCBRRPFJMXAH-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.70
Rot. Bonds3

About 4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine

4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine (PubChem CID 81313415) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine
PubChem CID81313415
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine
SMILESCc1ccc(-c2nc(Cl)cc(CC(C)C)n2)nc1
InChIInChI=1S/C14H16ClN3/c1-9(2)6-11-7-13(15)18-14(17-11)12-5-4-10(3)8-16-12/h4-5,7-9H,6H2,1-3H3
InChIKeyICJCBRRPFJMXAH-UHFFFAOYSA-N
XLogP3.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine?
The IUPAC name of 4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine (CID 81313415) is 4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine is Cc1ccc(-c2nc(Cl)cc(CC(C)C)n2)nc1.
What is the InChIKey of 4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine?
The InChIKey is ICJCBRRPFJMXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-9(2)6-11-7-13(15)18-14(17-11)12-5-4-10(3)8-16-12/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine?
4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine has a molecular weight of 261.76 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine is sourced from PubChem (CID 81313415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).