2-ethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C27H31F3N6 — CID 11488833

IUPAC2-ethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCCc1nc2c(c(Nc3ccc4c(c3)N(C)CCC4(C)C)n1)CCN(c1ncccc1C(F)(F)F)C2
InChIInChI=1S/C27H31F3N6/c1-5-23-33-21-16-36(25-20(27(28,29)30)7-6-12-31-25)13-10-18(21)24(34-23)32-17-8-9-19-22(15-17)35(4)14-11-26(19,2)3/h6-9,12,15H,5,10-11,13-14,16H2,1-4H3,(H,32,33,34)
InChIKeyFAMUOJOOCCYNAR-UHFFFAOYSA-N
MW496.58 g/mol
LogP5.88
Rot. Bonds4

About 2-ethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

2-ethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 11488833) has the molecular formula C27H31F3N6 and a molecular weight of 496.58 g/mol. Its IUPAC name is 2-ethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID11488833
Molecular FormulaC27H31F3N6
Molecular Weight496.58 g/mol
Exact Mass496.26
IUPAC Name2-ethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCCc1nc2c(c(Nc3ccc4c(c3)N(C)CCC4(C)C)n1)CCN(c1ncccc1C(F)(F)F)C2
InChIInChI=1S/C27H31F3N6/c1-5-23-33-21-16-36(25-20(27(28,29)30)7-6-12-31-25)13-10-18(21)24(34-23)32-17-8-9-19-22(15-17)35(4)14-11-26(19,2)3/h6-9,12,15H,5,10-11,13-14,16H2,1-4H3,(H,32,33,34)
InChIKeyFAMUOJOOCCYNAR-UHFFFAOYSA-N
XLogP5.88
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.58
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 11488833) is 2-ethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CCc1nc2c(c(Nc3ccc4c(c3)N(C)CCC4(C)C)n1)CCN(c1ncccc1C(F)(F)F)C2.
What is the InChIKey of 2-ethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is FAMUOJOOCCYNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N6/c1-5-23-33-21-16-36(25-20(27(28,29)30)7-6-12-31-25)13-10-18(21)24(34-23)32-17-8-9-19-22(15-17)35(4)14-11-26(19,2)3/h6-9,12,15H,5,10-11,13-14,16H2,1-4H3,(H,32,33,34).
What are the key properties of 2-ethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
2-ethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 496.58 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11488833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).