2-[3-fluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine

C21H19FN2 — CID 22899596

IUPAC2-[3-fluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine
SMILESCc1cnc(-c2ccc(-c3ccc4c(c3)CC(C)C4)c(F)c2)nc1
InChIInChI=1S/C21H19FN2/c1-13-7-15-3-4-16(9-18(15)8-13)19-6-5-17(10-20(19)22)21-23-11-14(2)12-24-21/h3-6,9-13H,7-8H2,1-2H3
InChIKeyKDMRRIVDYOHAIU-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.99
Rot. Bonds2

About 2-[3-fluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine

2-[3-fluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine (PubChem CID 22899596) has the molecular formula C21H19FN2 and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[3-fluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[3-fluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine
PubChem CID22899596
Molecular FormulaC21H19FN2
Molecular Weight318.40 g/mol
Exact Mass318.15
IUPAC Name2-[3-fluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine
SMILESCc1cnc(-c2ccc(-c3ccc4c(c3)CC(C)C4)c(F)c2)nc1
InChIInChI=1S/C21H19FN2/c1-13-7-15-3-4-16(9-18(15)8-13)19-6-5-17(10-20(19)22)21-23-11-14(2)12-24-21/h3-6,9-13H,7-8H2,1-2H3
InChIKeyKDMRRIVDYOHAIU-UHFFFAOYSA-N
XLogP4.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-{[(1E)-5-fluoro-2,3-dihydro-1H-inden-1-ylidene]methyl}pyrimidine
CID 6539805
(5-Pyrimidylmethylene)indane 28b
CID 6539808
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
5-[4-(4-Carbamimidoylphenyl)phenyl]pyrimidine-2-carboximidamide
CID 24752326
2,5-Diphenylpyrimidine
CID 755305
2-[4-[(2,4-Dimethylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 763322
2-[4-[(2,5-Dimethylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 792283
2-[4-(9H-Fluoren-1-ylmethyl)-piperazin-1-yl]-pyrimidine
CID 10450082
2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine
CID 13225502
(2R)-2-benzyl-5-methyl-2-(3-pyrimidin-5-ylphenyl)imidazol-4-amine
CID 49869174
2-(2-Isopropylphenyl)-5-methyl-N-(3-methylbenzyl)pyrimidin-4-amine
CID 60167827
4'-Fluoro-2,2-dimethyl-6-(pyrimidin-5-yl)-2,3-dihydrospiro[indene-1,2'-pyrrol]-5'-amine
CID 71550203

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine?
The IUPAC name of 2-[3-fluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine (CID 22899596) is 2-[3-fluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine.
What is the SMILES notation for 2-[3-fluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine?
The canonical SMILES for 2-[3-fluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine is Cc1cnc(-c2ccc(-c3ccc4c(c3)CC(C)C4)c(F)c2)nc1.
What is the InChIKey of 2-[3-fluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine?
The InChIKey is KDMRRIVDYOHAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2/c1-13-7-15-3-4-16(9-18(15)8-13)19-6-5-17(10-20(19)22)21-23-11-14(2)12-24-21/h3-6,9-13H,7-8H2,1-2H3.
What are the key properties of 2-[3-fluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine?
2-[3-fluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine has a molecular weight of 318.40 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-5-methylpyrimidine is sourced from PubChem (CID 22899596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).