2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C23H20F6N4O — CID 59021547

IUPAC2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCOCc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ccccc1C(F)(F)F)C2
InChIInChI=1S/C23H20F6N4O/c1-34-13-20-31-18-12-33(19-5-3-2-4-17(19)23(27,28)29)11-10-16(18)21(32-20)30-15-8-6-14(7-9-15)22(24,25)26/h2-9H,10-13H2,1H3,(H,30,31,32)
InChIKeyBPJYWCPFKNSDEW-UHFFFAOYSA-N
MW482.43 g/mol
LogP5.97
Rot. Bonds5

About 2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 59021547) has the molecular formula C23H20F6N4O and a molecular weight of 482.43 g/mol. Its IUPAC name is 2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID59021547
Molecular FormulaC23H20F6N4O
Molecular Weight482.43 g/mol
Exact Mass482.15
IUPAC Name2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCOCc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ccccc1C(F)(F)F)C2
InChIInChI=1S/C23H20F6N4O/c1-34-13-20-31-18-12-33(19-5-3-2-4-17(19)23(27,28)29)11-10-16(18)21(32-20)30-15-8-6-14(7-9-15)22(24,25)26/h2-9H,10-13H2,1H3,(H,30,31,32)
InChIKeyBPJYWCPFKNSDEW-UHFFFAOYSA-N
XLogP5.97
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.43
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 59021547) is 2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is COCc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ccccc1C(F)(F)F)C2.
What is the InChIKey of 2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is BPJYWCPFKNSDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F6N4O/c1-34-13-20-31-18-12-33(19-5-3-2-4-17(19)23(27,28)29)11-10-16(18)21(32-20)30-15-8-6-14(7-9-15)22(24,25)26/h2-9H,10-13H2,1H3,(H,30,31,32).
What are the key properties of 2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 482.43 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59021547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).