2-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-amine

C9H7F3N4 — CID 122198318

IUPAC2-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1nc(N)c2nc(C(F)(F)F)ccc2n1
InChIInChI=1S/C9H7F3N4/c1-4-14-5-2-3-6(9(10,11)12)16-7(5)8(13)15-4/h2-3H,1H3,(H2,13,14,15)
InChIKeyBBNDLFALSKHZHL-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.93
Rot. Bonds

About 2-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-amine

2-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 122198318) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID122198318
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name2-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1nc(N)c2nc(C(F)(F)F)ccc2n1
InChIInChI=1S/C9H7F3N4/c1-4-14-5-2-3-6(9(10,11)12)16-7(5)8(13)15-4/h2-3H,1H3,(H2,13,14,15)
InChIKeyBBNDLFALSKHZHL-UHFFFAOYSA-N
XLogP1.93
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-amine (CID 122198318) is 2-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-amine is Cc1nc(N)c2nc(C(F)(F)F)ccc2n1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is BBNDLFALSKHZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c1-4-14-5-2-3-6(9(10,11)12)16-7(5)8(13)15-4/h2-3H,1H3,(H2,13,14,15).
What are the key properties of 2-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-amine?
2-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 228.18 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 122198318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).