6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine

C15H12F3N5 — CID 5328374

IUPAC6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCNc1cc2c(Nc3cccc(C(F)(F)F)c3)ncnc2cn1
InChIInChI=1S/C15H12F3N5/c1-19-13-6-11-12(7-20-13)21-8-22-14(11)23-10-4-2-3-9(5-10)15(16,17)18/h2-8H,1H3,(H,19,20)(H,21,22,23)
InChIKeyDYODBQSUUIBESA-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.83
Rot. Bonds3

About 6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine

6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 5328374) has the molecular formula C15H12F3N5 and a molecular weight of 319.29 g/mol. Its IUPAC name is 6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID5328374
Molecular FormulaC15H12F3N5
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC Name6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCNc1cc2c(Nc3cccc(C(F)(F)F)c3)ncnc2cn1
InChIInChI=1S/C15H12F3N5/c1-19-13-6-11-12(7-20-13)21-8-22-14(11)23-10-4-2-3-9(5-10)15(16,17)18/h2-8H,1H3,(H,19,20)(H,21,22,23)
InChIKeyDYODBQSUUIBESA-UHFFFAOYSA-N
XLogP3.83
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Spautin-1
CID 51037431
Ngd-8243
CID 11247522
Pd 158780
CID 4707
PF-4708671
CID 51371303
CR-4056
CID 24898732
4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252
4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328253
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328261
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
SD-208
CID 10316032

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine (CID 5328374) is 6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine is CNc1cc2c(Nc3cccc(C(F)(F)F)c3)ncnc2cn1.
What is the InChIKey of 6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is DYODBQSUUIBESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5/c1-19-13-6-11-12(7-20-13)21-8-22-14(11)23-10-4-2-3-9(5-10)15(16,17)18/h2-8H,1H3,(H,19,20)(H,21,22,23).
What are the key properties of 6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine?
6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 319.29 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 5328374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).