4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine

Name: 4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₃ClF₂N₂ — CID 115524761

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine

SMILESCCCc1cc(Cl)nc(-c2ccc(C(F)F)cc2)n1

InChIInChI=1S/C14H13ClF2N2/c1-2-3-11-8-12(15)19-14(18-11)10-6-4-9(5-7-10)13(16)17/h4-8,13H,2-3H2,1H3

InChIKeyOWRBNVXSQKHDHP-UHFFFAOYSA-N

MW282.72 g/mol

LogP4.69

Rot. Bonds4

About 4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine

4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine (PubChem CID 115524761) has the molecular formula C₁₄H₁₃ClF₂N₂ and a molecular weight of 282.72 g/mol. Its IUPAC name is 4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine.

Molecular Properties

Compound Name	4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine
PubChem CID	115524761
Molecular Formula	C₁₄H₁₃ClF₂N₂
Molecular Weight	282.72 g/mol
Exact Mass	282.07
IUPAC Name	4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine
SMILES	CCCc1cc(Cl)nc(-c2ccc(C(F)F)cc2)n1
InChI	InChI=1S/C14H13ClF2N2/c1-2-3-11-8-12(15)19-14(18-11)10-6-4-9(5-7-10)13(16)17/h4-8,13H,2-3H2,1H3
InChIKey	OWRBNVXSQKHDHP-UHFFFAOYSA-N
XLogP	4.69
TPSA	25.78 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.72
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine?

The IUPAC name of 4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine (CID 115524761) is 4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine.

What is the SMILES notation for 4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine?

The canonical SMILES for 4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine is CCCc1cc(Cl)nc(-c2ccc(C(F)F)cc2)n1.

What is the InChIKey of 4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine?

The InChIKey is OWRBNVXSQKHDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2/c1-2-3-11-8-12(15)19-14(18-11)10-6-4-9(5-7-10)13(16)17/h4-8,13H,2-3H2,1H3.

What are the key properties of 4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine?

4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine has a molecular weight of 282.72 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine is sourced from PubChem (CID 115524761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 115524761 — identifiers, structure, computed properties (public domain)

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