6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine

C20H19FN4 — CID 112872358

IUPAC6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2F)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C20H19FN4/c1-14-23-19(22-13-16-7-2-4-8-17(16)21)12-20(24-14)25-11-10-15-6-3-5-9-18(15)25/h2-9,12H,10-11,13H2,1H3,(H,22,23,24)
InChIKeyKHAYLIZLRCMOSX-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.23
Rot. Bonds4

About 6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine

6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 112872358) has the molecular formula C20H19FN4 and a molecular weight of 334.40 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
PubChem CID112872358
Molecular FormulaC20H19FN4
Molecular Weight334.40 g/mol
Exact Mass334.16
IUPAC Name6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2F)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C20H19FN4/c1-14-23-19(22-13-16-7-2-4-8-17(16)21)12-20(24-14)25-11-10-15-6-3-5-9-18(15)25/h2-9,12H,10-11,13H2,1H3,(H,22,23,24)
InChIKeyKHAYLIZLRCMOSX-UHFFFAOYSA-N
XLogP4.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872815
3,4-dihydro-2H-quinolin-1-yl-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109369586
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872329
6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112877083
N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112876028
N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112877245
6-(2,3-dihydroindol-1-yl)-2-ethyl-N-propylpyrimidin-4-amine
CID 80939492
2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328560
6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348179
1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112868870
3-[[6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877287
6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 112877270

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine (CID 112872358) is 6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine is Cc1nc(NCc2ccccc2F)cc(N2CCc3ccccc32)n1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is KHAYLIZLRCMOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4/c1-14-23-19(22-13-16-7-2-4-8-17(16)21)12-20(24-14)25-11-10-15-6-3-5-9-18(15)25/h2-9,12H,10-11,13H2,1H3,(H,22,23,24).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine?
6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 334.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112872358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).