4-methyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidine

C9H6F3N3 — CID 91973249

IUPAC4-methyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidine
SMILESCc1ncnc2ccnc(C(F)(F)F)c12
InChIInChI=1S/C9H6F3N3/c1-5-7-6(15-4-14-5)2-3-13-8(7)9(10,11)12/h2-4H,1H3
InChIKeyBCICKVIGGRKXAL-UHFFFAOYSA-N
MW213.16 g/mol
LogP2.35
Rot. Bonds

About 4-methyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidine

4-methyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidine (PubChem CID 91973249) has the molecular formula C9H6F3N3 and a molecular weight of 213.16 g/mol. Its IUPAC name is 4-methyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidine
PubChem CID91973249
Molecular FormulaC9H6F3N3
Molecular Weight213.16 g/mol
Exact Mass213.05
IUPAC Name4-methyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidine
SMILESCc1ncnc2ccnc(C(F)(F)F)c12
InChIInChI=1S/C9H6F3N3/c1-5-7-6(15-4-14-5)2-3-13-8(7)9(10,11)12/h2-4H,1H3
InChIKeyBCICKVIGGRKXAL-UHFFFAOYSA-N
XLogP2.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methane;2-methyl-3-(trifluoromethyl)pyrazine
CID 160533688
fluoromethane;4-methylquinazoline
CID 91079443
4-ethenyl-3-methyl-2-(trifluoromethyl)pyridine
CID 67936792
1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 55272660
3-hydroxy-2-(trifluoromethyl)pyridine-4-carboxamide
CID 131093566
1-methyl-8-(trifluoromethyl)isoquinoline
CID 125457545
3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 90460143
benzene;4-methylquinazoline
CID 174274782
3-iodo-4-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine
CID 53412686
3-hydroxy-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 15105945
[2,4-bis(trifluoromethyl)-3-pyridinyl]methanol
CID 131282988
4-ethyl-2,3-bis(trifluoromethyl)pyridine
CID 133094685

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-methyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidine (CID 91973249) is 4-methyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-methyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-methyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidine is Cc1ncnc2ccnc(C(F)(F)F)c12.
What is the InChIKey of 4-methyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidine?
The InChIKey is BCICKVIGGRKXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3/c1-5-7-6(15-4-14-5)2-3-13-8(7)9(10,11)12/h2-4H,1H3.
What are the key properties of 4-methyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidine?
4-methyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidine has a molecular weight of 213.16 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 91973249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).