N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-ethyl-4-(2-methoxy-5-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyrimidin-2-amine

C35H41F6N5O2 — CID 141495659

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-ethyl-4-(2-methoxy-5-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyrimidin-2-amine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-ethyl-4-(2-methoxy-5-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyrimidin-2-amine (PubChem CID 141495659) has the molecular formula C35H41F6N5O2 and a molecular weight of 677.73 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-ethyl-4-(2-methoxy-5-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-ethyl-4-(2-methoxy-5-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyrimidin-2-amine
• PubChem CID: 141495659
• Molecular Formula: C35H41F6N5O2
• Molecular Weight: 677.73 g/mol
• Exact Mass: 677.32
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-ethyl-4-(2-methoxy-5-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyrimidin-2-amine
• SMILES: CCN1CCC(c2cc(C(C)C)ccc2OC)=C(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(N3CCOCC3)cn2)C1
• InChI: InChI=1S/C35H41F6N5O2/c1-5-44-9-8-30(31-16-25(23(2)3)6-7-32(31)47-4)26(21-44)22-46(33-42-18-29(19-43-33)45-10-12-48-13-11-45)20-24-14-27(34(36,37)38)17-28(15-24)35(39,40)41/h6-7,14-19,23H,5,8-13,20-22H2,1-4H3
• InChIKey: IODUZJKFUKGQPB-UHFFFAOYSA-N
• XLogP: 7.67
• TPSA: 53.96 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.73
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-ethyl-4-(2-methoxy-5-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyrimidin-2-amine?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-ethyl-4-(2-methoxy-5-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyrimidin-2-amine (CID 141495659) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-ethyl-4-(2-methoxy-5-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyrimidin-2-amine.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-ethyl-4-(2-methoxy-5-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyrimidin-2-amine?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-ethyl-4-(2-methoxy-5-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyrimidin-2-amine is CCN1CCC(c2cc(C(C)C)ccc2OC)=C(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(N3CCOCC3)cn2)C1.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-ethyl-4-(2-methoxy-5-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyrimidin-2-amine?

The InChIKey is IODUZJKFUKGQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41F6N5O2/c1-5-44-9-8-30(31-16-25(23(2)3)6-7-32(31)47-4)26(21-44)22-46(33-42-18-29(19-43-33)45-10-12-48-13-11-45)20-24-14-27(34(36,37)38)17-28(15-24)35(39,40)41/h6-7,14-19,23H,5,8-13,20-22H2,1-4H3.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-ethyl-4-(2-methoxy-5-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyrimidin-2-amine?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-ethyl-4-(2-methoxy-5-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 677.73 g/mol, XLogP of 7.67, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-ethyl-4-(2-methoxy-5-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]-5-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 141495659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).