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

C23H22ClF3N6O — CID 11271812

IUPAC7-(3-chloro-2-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2nc(N3CCOCC3)nc3c2CCN(c2ncccc2Cl)C3)cc1
InChIInChI=1S/C23H22ClF3N6O/c24-18-2-1-8-28-21(18)33-9-7-17-19(14-33)30-22(32-10-12-34-13-11-32)31-20(17)29-16-5-3-15(4-6-16)23(25,26)27/h1-6,8H,7,9-14H2,(H,29,30,31)
InChIKeyUXFDVQMTMDUMCC-UHFFFAOYSA-N
MW490.92 g/mol
LogP4.69
Rot. Bonds4

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

7-(3-chloro-2-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 11271812) has the molecular formula C23H22ClF3N6O and a molecular weight of 490.92 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID11271812
Molecular FormulaC23H22ClF3N6O
Molecular Weight490.92 g/mol
Exact Mass490.15
IUPAC Name7-(3-chloro-2-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2nc(N3CCOCC3)nc3c2CCN(c2ncccc2Cl)C3)cc1
InChIInChI=1S/C23H22ClF3N6O/c24-18-2-1-8-28-21(18)33-9-7-17-19(14-33)30-22(32-10-12-34-13-11-32)31-20(17)29-16-5-3-15(4-6-16)23(25,26)27/h1-6,8H,7,9-14H2,(H,29,30,31)
InChIKeyUXFDVQMTMDUMCC-UHFFFAOYSA-N
XLogP4.69
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.92
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-morpholin-4-yl-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-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 11271812) is 7-(3-chloro-2-pyridinyl)-2-morpholin-4-yl-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-morpholin-4-yl-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-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is FC(F)(F)c1ccc(Nc2nc(N3CCOCC3)nc3c2CCN(c2ncccc2Cl)C3)cc1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is UXFDVQMTMDUMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N6O/c24-18-2-1-8-28-21(18)33-9-7-17-19(14-33)30-22(32-10-12-34-13-11-32)31-20(17)29-16-5-3-15(4-6-16)23(25,26)27/h1-6,8H,7,9-14H2,(H,29,30,31).
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 490.92 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11271812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).