6-N-(3,4-difluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine

C13H10F2N6 — CID 155543062

IUPAC6-N-(3,4-difluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine
SMILESNc1nc(N)c2nc(Nc3ccc(F)c(F)c3)ccc2n1
InChIInChI=1S/C13H10F2N6/c14-7-2-1-6(5-8(7)15)18-10-4-3-9-11(20-10)12(16)21-13(17)19-9/h1-5H,(H,18,20)(H4,16,17,19,21)
InChIKeyCZXKISLXVHXQQN-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.21
Rot. Bonds2

About 6-N-(3,4-difluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine

6-N-(3,4-difluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine (PubChem CID 155543062) has the molecular formula C13H10F2N6 and a molecular weight of 288.26 g/mol. Its IUPAC name is 6-N-(3,4-difluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(3,4-difluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine
PubChem CID155543062
Molecular FormulaC13H10F2N6
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name6-N-(3,4-difluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine
SMILESNc1nc(N)c2nc(Nc3ccc(F)c(F)c3)ccc2n1
InChIInChI=1S/C13H10F2N6/c14-7-2-1-6(5-8(7)15)18-10-4-3-9-11(20-10)12(16)21-13(17)19-9/h1-5H,(H,18,20)(H4,16,17,19,21)
InChIKeyCZXKISLXVHXQQN-UHFFFAOYSA-N
XLogP2.21
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-difluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-(3,4-difluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine (CID 155543062) is 6-N-(3,4-difluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-(3,4-difluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-(3,4-difluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine is Nc1nc(N)c2nc(Nc3ccc(F)c(F)c3)ccc2n1.
What is the InChIKey of 6-N-(3,4-difluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine?
The InChIKey is CZXKISLXVHXQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N6/c14-7-2-1-6(5-8(7)15)18-10-4-3-9-11(20-10)12(16)21-13(17)19-9/h1-5H,(H,18,20)(H4,16,17,19,21).
What are the key properties of 6-N-(3,4-difluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine?
6-N-(3,4-difluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine has a molecular weight of 288.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-difluorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 155543062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).