2-[4-(1,1-difluoro-5-phenylpentyl)phenyl]-4,6-dimethylpyrimidine

C23H24F2N2 — CID 134954990

IUPAC2-[4-(1,1-difluoro-5-phenylpentyl)phenyl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(-c2ccc(C(F)(F)CCCCc3ccccc3)cc2)n1
InChIInChI=1S/C23H24F2N2/c1-17-16-18(2)27-22(26-17)20-11-13-21(14-12-20)23(24,25)15-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,11-14,16H,6-7,10,15H2,1-2H3
InChIKeyKNLRGLSKGBMRCN-UHFFFAOYSA-N
MW366.46 g/mol
LogP6.27
Rot. Bonds7

About 2-[4-(1,1-difluoro-5-phenylpentyl)phenyl]-4,6-dimethylpyrimidine

2-[4-(1,1-difluoro-5-phenylpentyl)phenyl]-4,6-dimethylpyrimidine (PubChem CID 134954990) has the molecular formula C23H24F2N2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[4-(1,1-difluoro-5-phenylpentyl)phenyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[4-(1,1-difluoro-5-phenylpentyl)phenyl]-4,6-dimethylpyrimidine
PubChem CID134954990
Molecular FormulaC23H24F2N2
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-[4-(1,1-difluoro-5-phenylpentyl)phenyl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(-c2ccc(C(F)(F)CCCCc3ccccc3)cc2)n1
InChIInChI=1S/C23H24F2N2/c1-17-16-18(2)27-22(26-17)20-11-13-21(14-12-20)23(24,25)15-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,11-14,16H,6-7,10,15H2,1-2H3
InChIKeyKNLRGLSKGBMRCN-UHFFFAOYSA-N
XLogP6.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 196968
4,6-Diphenylpyrimidin-2-amine
CID 619024
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
4-Bromo-2,6-diphenylpyrimidine
CID 817533
4-Chloro-2,6-diphenylpyrimidine
CID 582041
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
4-Amino-2,6-diphenylpyrimidine
CID 619020
4-Amino-2,6-diphenylpyrimidine-5-carbonitrile
CID 2303947
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoro-5-phenylpentyl)phenyl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[4-(1,1-difluoro-5-phenylpentyl)phenyl]-4,6-dimethylpyrimidine (CID 134954990) is 2-[4-(1,1-difluoro-5-phenylpentyl)phenyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[4-(1,1-difluoro-5-phenylpentyl)phenyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[4-(1,1-difluoro-5-phenylpentyl)phenyl]-4,6-dimethylpyrimidine is Cc1cc(C)nc(-c2ccc(C(F)(F)CCCCc3ccccc3)cc2)n1.
What is the InChIKey of 2-[4-(1,1-difluoro-5-phenylpentyl)phenyl]-4,6-dimethylpyrimidine?
The InChIKey is KNLRGLSKGBMRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2/c1-17-16-18(2)27-22(26-17)20-11-13-21(14-12-20)23(24,25)15-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,11-14,16H,6-7,10,15H2,1-2H3.
What are the key properties of 2-[4-(1,1-difluoro-5-phenylpentyl)phenyl]-4,6-dimethylpyrimidine?
2-[4-(1,1-difluoro-5-phenylpentyl)phenyl]-4,6-dimethylpyrimidine has a molecular weight of 366.46 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoro-5-phenylpentyl)phenyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 134954990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).