4-N-(3-chloro-4-methylphenyl)-2-N-(3-fluorophenyl)pteridine-2,4-diamine

C19H14ClFN6 — CID 16820946

IUPAC4-N-(3-chloro-4-methylphenyl)-2-N-(3-fluorophenyl)pteridine-2,4-diamine
SMILESCc1ccc(Nc2nc(Nc3cccc(F)c3)nc3nccnc23)cc1Cl
InChIInChI=1S/C19H14ClFN6/c1-11-5-6-14(10-15(11)20)24-18-16-17(23-8-7-22-16)26-19(27-18)25-13-4-2-3-12(21)9-13/h2-10H,1H3,(H2,23,24,25,26,27)
InChIKeyLZWCKOYRZQBRTK-UHFFFAOYSA-N
MW380.81 g/mol
LogP5.01
Rot. Bonds4

About 4-N-(3-chloro-4-methylphenyl)-2-N-(3-fluorophenyl)pteridine-2,4-diamine

4-N-(3-chloro-4-methylphenyl)-2-N-(3-fluorophenyl)pteridine-2,4-diamine (PubChem CID 16820946) has the molecular formula C19H14ClFN6 and a molecular weight of 380.81 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methylphenyl)-2-N-(3-fluorophenyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methylphenyl)-2-N-(3-fluorophenyl)pteridine-2,4-diamine
PubChem CID16820946
Molecular FormulaC19H14ClFN6
Molecular Weight380.81 g/mol
Exact Mass380.10
IUPAC Name4-N-(3-chloro-4-methylphenyl)-2-N-(3-fluorophenyl)pteridine-2,4-diamine
SMILESCc1ccc(Nc2nc(Nc3cccc(F)c3)nc3nccnc23)cc1Cl
InChIInChI=1S/C19H14ClFN6/c1-11-5-6-14(10-15(11)20)24-18-16-17(23-8-7-22-16)26-19(27-18)25-13-4-2-3-12(21)9-13/h2-10H,1H3,(H2,23,24,25,26,27)
InChIKeyLZWCKOYRZQBRTK-UHFFFAOYSA-N
XLogP5.01
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.81
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-(3-fluorophenyl)pteridine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-(3-fluorophenyl)pteridine-2,4-diamine (CID 16820946) is 4-N-(3-chloro-4-methylphenyl)-2-N-(3-fluorophenyl)pteridine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methylphenyl)-2-N-(3-fluorophenyl)pteridine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methylphenyl)-2-N-(3-fluorophenyl)pteridine-2,4-diamine is Cc1ccc(Nc2nc(Nc3cccc(F)c3)nc3nccnc23)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methylphenyl)-2-N-(3-fluorophenyl)pteridine-2,4-diamine?
The InChIKey is LZWCKOYRZQBRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN6/c1-11-5-6-14(10-15(11)20)24-18-16-17(23-8-7-22-16)26-19(27-18)25-13-4-2-3-12(21)9-13/h2-10H,1H3,(H2,23,24,25,26,27).
What are the key properties of 4-N-(3-chloro-4-methylphenyl)-2-N-(3-fluorophenyl)pteridine-2,4-diamine?
4-N-(3-chloro-4-methylphenyl)-2-N-(3-fluorophenyl)pteridine-2,4-diamine has a molecular weight of 380.81 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methylphenyl)-2-N-(3-fluorophenyl)pteridine-2,4-diamine is sourced from PubChem (CID 16820946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).