2-N-(2-chlorophenyl)-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine

C19H15ClFN5 — CID 25102916

IUPAC2-N-(2-chlorophenyl)-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
SMILESCc1cc2c(F)c(Nc3ccnc(Nc4ccccc4Cl)n3)ccc2[nH]1
InChIInChI=1S/C19H15ClFN5/c1-11-10-12-14(23-11)6-7-16(18(12)21)24-17-8-9-22-19(26-17)25-15-5-3-2-4-13(15)20/h2-10,23H,1H3,(H2,22,24,25,26)
InChIKeyFCKDSJKQELOAOO-UHFFFAOYSA-N
MW367.82 g/mol
LogP5.55
Rot. Bonds4

About 2-N-(2-chlorophenyl)-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine

2-N-(2-chlorophenyl)-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine (PubChem CID 25102916) has the molecular formula C19H15ClFN5 and a molecular weight of 367.82 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
PubChem CID25102916
Molecular FormulaC19H15ClFN5
Molecular Weight367.82 g/mol
Exact Mass367.10
IUPAC Name2-N-(2-chlorophenyl)-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
SMILESCc1cc2c(F)c(Nc3ccnc(Nc4ccccc4Cl)n3)ccc2[nH]1
InChIInChI=1S/C19H15ClFN5/c1-11-10-12-14(23-11)6-7-16(18(12)21)24-17-8-9-22-19(26-17)25-15-5-3-2-4-13(15)20/h2-10,23H,1H3,(H2,22,24,25,26)
InChIKeyFCKDSJKQELOAOO-UHFFFAOYSA-N
XLogP5.55
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.82
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-chlorophenyl)-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine (CID 25102916) is 2-N-(2-chlorophenyl)-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-chlorophenyl)-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-chlorophenyl)-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine is Cc1cc2c(F)c(Nc3ccnc(Nc4ccccc4Cl)n3)ccc2[nH]1.
What is the InChIKey of 2-N-(2-chlorophenyl)-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is FCKDSJKQELOAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5/c1-11-10-12-14(23-11)6-7-16(18(12)21)24-17-8-9-22-19(26-17)25-15-5-3-2-4-13(15)20/h2-10,23H,1H3,(H2,22,24,25,26).
What are the key properties of 2-N-(2-chlorophenyl)-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine?
2-N-(2-chlorophenyl)-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 367.82 g/mol, XLogP of 5.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 25102916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).