4-(4-fluorophenyl)-5-methyl-2-phenyl-6-propan-2-ylpyrimidine

C20H19FN2 — CID 20679570

IUPAC4-(4-fluorophenyl)-5-methyl-2-phenyl-6-propan-2-ylpyrimidine
SMILESCc1c(-c2ccc(F)cc2)nc(-c2ccccc2)nc1C(C)C
InChIInChI=1S/C20H19FN2/c1-13(2)18-14(3)19(15-9-11-17(21)12-10-15)23-20(22-18)16-7-5-4-6-8-16/h4-13H,1-3H3
InChIKeySQSHAYPBPFRKHR-UHFFFAOYSA-N
MW306.38 g/mol
LogP5.38
Rot. Bonds3

About 4-(4-fluorophenyl)-5-methyl-2-phenyl-6-propan-2-ylpyrimidine

4-(4-fluorophenyl)-5-methyl-2-phenyl-6-propan-2-ylpyrimidine (PubChem CID 20679570) has the molecular formula C20H19FN2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-2-phenyl-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-2-phenyl-6-propan-2-ylpyrimidine
PubChem CID20679570
Molecular FormulaC20H19FN2
Molecular Weight306.38 g/mol
Exact Mass306.15
IUPAC Name4-(4-fluorophenyl)-5-methyl-2-phenyl-6-propan-2-ylpyrimidine
SMILESCc1c(-c2ccc(F)cc2)nc(-c2ccccc2)nc1C(C)C
InChIInChI=1S/C20H19FN2/c1-13(2)18-14(3)19(15-9-11-17(21)12-10-15)23-20(22-18)16-7-5-4-6-8-16/h4-13H,1-3H3
InChIKeySQSHAYPBPFRKHR-UHFFFAOYSA-N
XLogP5.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.38
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
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
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
4-Amino-2,6-diphenylpyrimidine
CID 619020

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methyl-2-phenyl-6-propan-2-ylpyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-2-phenyl-6-propan-2-ylpyrimidine (CID 20679570) is 4-(4-fluorophenyl)-5-methyl-2-phenyl-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-2-phenyl-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-2-phenyl-6-propan-2-ylpyrimidine is Cc1c(-c2ccc(F)cc2)nc(-c2ccccc2)nc1C(C)C.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-2-phenyl-6-propan-2-ylpyrimidine?
The InChIKey is SQSHAYPBPFRKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2/c1-13(2)18-14(3)19(15-9-11-17(21)12-10-15)23-20(22-18)16-7-5-4-6-8-16/h4-13H,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-5-methyl-2-phenyl-6-propan-2-ylpyrimidine?
4-(4-fluorophenyl)-5-methyl-2-phenyl-6-propan-2-ylpyrimidine has a molecular weight of 306.38 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methyl-2-phenyl-6-propan-2-ylpyrimidine is sourced from PubChem (CID 20679570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).