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

C14H13ClF2N2 — CID 115524761

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 Name4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine
PubChem CID115524761
Molecular FormulaC14H13ClF2N2
Molecular Weight282.72 g/mol
Exact Mass282.07
IUPAC Name4-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
XLogP4.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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).