2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine

C20H18FN5 — CID 56876919

IUPAC2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine
SMILESCc1c(-c2ccccc2F)[nH]c2ccc(CNc3nccc(N)n3)cc12
InChIInChI=1S/C20H18FN5/c1-12-15-10-13(11-24-20-23-9-8-18(22)26-20)6-7-17(15)25-19(12)14-4-2-3-5-16(14)21/h2-10,25H,11H2,1H3,(H3,22,23,24,26)
InChIKeyXBIKRGYFARNZAQ-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.27
Rot. Bonds4

About 2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine

2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 56876919) has the molecular formula C20H18FN5 and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine
PubChem CID56876919
Molecular FormulaC20H18FN5
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC Name2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine
SMILESCc1c(-c2ccccc2F)[nH]c2ccc(CNc3nccc(N)n3)cc12
InChIInChI=1S/C20H18FN5/c1-12-15-10-13(11-24-20-23-9-8-18(22)26-20)6-7-17(15)25-19(12)14-4-2-3-5-16(14)21/h2-10,25H,11H2,1H3,(H3,22,23,24,26)
InChIKeyXBIKRGYFARNZAQ-UHFFFAOYSA-N
XLogP4.27
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine (CID 56876919) is 2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine is Cc1c(-c2ccccc2F)[nH]c2ccc(CNc3nccc(N)n3)cc12.
What is the InChIKey of 2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is XBIKRGYFARNZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5/c1-12-15-10-13(11-24-20-23-9-8-18(22)26-20)6-7-17(15)25-19(12)14-4-2-3-5-16(14)21/h2-10,25H,11H2,1H3,(H3,22,23,24,26).
What are the key properties of 2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine?
2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 347.40 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 56876919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).