2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C15H18F3N5 — CID 24910149

IUPAC2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nn(C)c(C)c1CN1CCc2nc(C(F)(F)F)ncc2C1
InChIInChI=1S/C15H18F3N5/c1-9-12(10(2)22(3)21-9)8-23-5-4-13-11(7-23)6-19-14(20-13)15(16,17)18/h6H,4-5,7-8H2,1-3H3
InChIKeyRMHUFGKBQZKFPT-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.40
Rot. Bonds2

About 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24910149) has the molecular formula C15H18F3N5 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24910149
Molecular FormulaC15H18F3N5
Molecular Weight325.34 g/mol
Exact Mass325.15
IUPAC Name2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nn(C)c(C)c1CN1CCc2nc(C(F)(F)F)ncc2C1
InChIInChI=1S/C15H18F3N5/c1-9-12(10(2)22(3)21-9)8-23-5-4-13-11(7-23)6-19-14(20-13)15(16,17)18/h6H,4-5,7-8H2,1-3H3
InChIKeyRMHUFGKBQZKFPT-UHFFFAOYSA-N
XLogP2.40
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24910149) is 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1nn(C)c(C)c1CN1CCc2nc(C(F)(F)F)ncc2C1.
What is the InChIKey of 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is RMHUFGKBQZKFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5/c1-9-12(10(2)22(3)21-9)8-23-5-4-13-11(7-23)6-19-14(20-13)15(16,17)18/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 325.34 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24910149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).