2-(3,4-difluorophenyl)-5-propylpyrimidine

C13H12F2N2 — CID 609455

IUPAC2-(3,4-difluorophenyl)-5-propylpyrimidine
SMILESCCCc1cnc(-c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C13H12F2N2/c1-2-3-9-7-16-13(17-8-9)10-4-5-11(14)12(15)6-10/h4-8H,2-3H2,1H3
InChIKeyQTVOTIBHDWOQJP-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.37
Rot. Bonds3

About 2-(3,4-difluorophenyl)-5-propylpyrimidine

2-(3,4-difluorophenyl)-5-propylpyrimidine (PubChem CID 609455) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-propylpyrimidine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-propylpyrimidine
PubChem CID609455
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(3,4-difluorophenyl)-5-propylpyrimidine
SMILESCCCc1cnc(-c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C13H12F2N2/c1-2-3-9-7-16-13(17-8-9)10-4-5-11(14)12(15)6-10/h4-8H,2-3H2,1H3
InChIKeyQTVOTIBHDWOQJP-UHFFFAOYSA-N
XLogP3.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenylpyrimidine
CID 18923
2-Amino-4-phenylpyrimidine
CID 598777
5-Phenyl-2,4-pyrimidinediamine
CID 134761
5-(Phenylethynyl)pyrimidine
CID 4074142
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
5-((3-(Trifluoromethyl)phenyl)methyl)-2,4-pyrimidinediamine
CID 579834
2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 25070582
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952
5-{[(1E)-5-fluoro-2,3-dihydro-1H-inden-1-ylidene]methyl}pyrimidine
CID 6539805
(5-Pyrimidylmethylene)indane 28b
CID 6539808
2-(Phenylethynyl)pyrimidine
CID 12490583

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-propylpyrimidine?
The IUPAC name of 2-(3,4-difluorophenyl)-5-propylpyrimidine (CID 609455) is 2-(3,4-difluorophenyl)-5-propylpyrimidine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-propylpyrimidine?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-propylpyrimidine is CCCc1cnc(-c2ccc(F)c(F)c2)nc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-propylpyrimidine?
The InChIKey is QTVOTIBHDWOQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c1-2-3-9-7-16-13(17-8-9)10-4-5-11(14)12(15)6-10/h4-8H,2-3H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-5-propylpyrimidine?
2-(3,4-difluorophenyl)-5-propylpyrimidine has a molecular weight of 234.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-propylpyrimidine is sourced from PubChem (CID 609455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).