2-(morpholin-4-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine

C24H19F6N7O — CID 22030067

IUPAC2-(morpholin-4-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(Nc2nc(CN3CCOCC3)nc3cc(-c4ncccc4C(F)(F)F)cnc23)n1
InChIInChI=1S/C24H19F6N7O/c25-23(26,27)15-3-2-6-31-20(15)14-11-16-21(32-12-14)22(35-18-5-1-4-17(34-18)24(28,29)30)36-19(33-16)13-37-7-9-38-10-8-37/h1-6,11-12H,7-10,13H2,(H,33,34,35,36)
InChIKeyDHSLCYKXNDCMHH-UHFFFAOYSA-N
MW535.45 g/mol
LogP5.10
Rot. Bonds5

About 2-(morpholin-4-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine

2-(morpholin-4-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 22030067) has the molecular formula C24H19F6N7O and a molecular weight of 535.45 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID22030067
Molecular FormulaC24H19F6N7O
Molecular Weight535.45 g/mol
Exact Mass535.16
IUPAC Name2-(morpholin-4-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(Nc2nc(CN3CCOCC3)nc3cc(-c4ncccc4C(F)(F)F)cnc23)n1
InChIInChI=1S/C24H19F6N7O/c25-23(26,27)15-3-2-6-31-20(15)14-11-16-21(32-12-14)22(35-18-5-1-4-17(34-18)24(28,29)30)36-19(33-16)13-37-7-9-38-10-8-37/h1-6,11-12H,7-10,13H2,(H,33,34,35,36)
InChIKeyDHSLCYKXNDCMHH-UHFFFAOYSA-N
XLogP5.10
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-(morpholin-4-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine (CID 22030067) is 2-(morpholin-4-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine is FC(F)(F)c1cccc(Nc2nc(CN3CCOCC3)nc3cc(-c4ncccc4C(F)(F)F)cnc23)n1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is DHSLCYKXNDCMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6N7O/c25-23(26,27)15-3-2-6-31-20(15)14-11-16-21(32-12-14)22(35-18-5-1-4-17(34-18)24(28,29)30)36-19(33-16)13-37-7-9-38-10-8-37/h1-6,11-12H,7-10,13H2,(H,33,34,35,36).
What are the key properties of 2-(morpholin-4-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
2-(morpholin-4-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 535.45 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 22030067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).