7-(3-chloro-2-pyridinyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C27H30ClF3N6O2 — CID 11319010

IUPAC7-(3-chloro-2-pyridinyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCC1CN(CCOc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2Cl)C3)CC(C)O1
InChIInChI=1S/C27H30ClF3N6O2/c1-17-14-36(15-18(2)39-17)12-13-38-26-34-23-16-37(25-22(28)4-3-10-32-25)11-9-21(23)24(35-26)33-20-7-5-19(6-8-20)27(29,30)31/h3-8,10,17-18H,9,11-16H2,1-2H3,(H,33,34,35)
InChIKeyCXJTUWSPXFLAGI-UHFFFAOYSA-N
MW563.02 g/mol
LogP5.34
Rot. Bonds7

About 7-(3-chloro-2-pyridinyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 11319010) has the molecular formula C27H30ClF3N6O2 and a molecular weight of 563.02 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID11319010
Molecular FormulaC27H30ClF3N6O2
Molecular Weight563.02 g/mol
Exact Mass562.21
IUPAC Name7-(3-chloro-2-pyridinyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCC1CN(CCOc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2Cl)C3)CC(C)O1
InChIInChI=1S/C27H30ClF3N6O2/c1-17-14-36(15-18(2)39-17)12-13-38-26-34-23-16-37(25-22(28)4-3-10-32-25)11-9-21(23)24(35-26)33-20-7-5-19(6-8-20)27(29,30)31/h3-8,10,17-18H,9,11-16H2,1-2H3,(H,33,34,35)
InChIKeyCXJTUWSPXFLAGI-UHFFFAOYSA-N
XLogP5.34
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.02
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(3-chloro-2-pyridinyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-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 7-(3-chloro-2-pyridinyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 11319010) is 7-(3-chloro-2-pyridinyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CC1CN(CCOc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2Cl)C3)CC(C)O1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is CXJTUWSPXFLAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClF3N6O2/c1-17-14-36(15-18(2)39-17)12-13-38-26-34-23-16-37(25-22(28)4-3-10-32-25)11-9-21(23)24(35-26)33-20-7-5-19(6-8-20)27(29,30)31/h3-8,10,17-18H,9,11-16H2,1-2H3,(H,33,34,35).
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 563.02 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11319010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).