4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine

C14H10F3N5 — CID 5328058

IUPAC4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESNc1cc2ncnc(Nc3cccc(C(F)(F)F)c3)c2cn1
InChIInChI=1S/C14H10F3N5/c15-14(16,17)8-2-1-3-9(4-8)22-13-10-6-19-12(18)5-11(10)20-7-21-13/h1-7H,(H2,18,19)(H,20,21,22)
InChIKeyUCCQIOAGMXPOET-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.37
Rot. Bonds2

About 4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine

4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine (PubChem CID 5328058) has the molecular formula C14H10F3N5 and a molecular weight of 305.26 g/mol. Its IUPAC name is 4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
PubChem CID5328058
Molecular FormulaC14H10F3N5
Molecular Weight305.26 g/mol
Exact Mass305.09
IUPAC Name4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESNc1cc2ncnc(Nc3cccc(C(F)(F)F)c3)c2cn1
InChIInChI=1S/C14H10F3N5/c15-14(16,17)8-2-1-3-9(4-8)22-13-10-6-19-12(18)5-11(10)20-7-21-13/h1-7H,(H2,18,19)(H,20,21,22)
InChIKeyUCCQIOAGMXPOET-UHFFFAOYSA-N
XLogP3.37
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine (CID 5328058) is 4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine is Nc1cc2ncnc(Nc3cccc(C(F)(F)F)c3)c2cn1.
What is the InChIKey of 4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The InChIKey is UCCQIOAGMXPOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5/c15-14(16,17)8-2-1-3-9(4-8)22-13-10-6-19-12(18)5-11(10)20-7-21-13/h1-7H,(H2,18,19)(H,20,21,22).
What are the key properties of 4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine has a molecular weight of 305.26 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 5328058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).