5-chloro-2-N-(5-morpholin-4-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C20H18ClF3N6O — CID 164613244

IUPAC5-chloro-2-N-(5-morpholin-4-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2nc(Nc3ccc(N4CCOCC4)cn3)ncc2Cl)c1
InChIInChI=1S/C20H18ClF3N6O/c21-16-12-26-19(28-17-5-4-15(11-25-17)30-6-8-31-9-7-30)29-18(16)27-14-3-1-2-13(10-14)20(22,23)24/h1-5,10-12H,6-9H2,(H2,25,26,27,28,29)
InChIKeyRDHOWKSYWVOAEK-UHFFFAOYSA-N
MW450.85 g/mol
LogP4.87
Rot. Bonds5

About 5-chloro-2-N-(5-morpholin-4-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

5-chloro-2-N-(5-morpholin-4-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 164613244) has the molecular formula C20H18ClF3N6O and a molecular weight of 450.85 g/mol. Its IUPAC name is 5-chloro-2-N-(5-morpholin-4-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(5-morpholin-4-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID164613244
Molecular FormulaC20H18ClF3N6O
Molecular Weight450.85 g/mol
Exact Mass450.12
IUPAC Name5-chloro-2-N-(5-morpholin-4-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2nc(Nc3ccc(N4CCOCC4)cn3)ncc2Cl)c1
InChIInChI=1S/C20H18ClF3N6O/c21-16-12-26-19(28-17-5-4-15(11-25-17)30-6-8-31-9-7-30)29-18(16)27-14-3-1-2-13(10-14)20(22,23)24/h1-5,10-12H,6-9H2,(H2,25,26,27,28,29)
InChIKeyRDHOWKSYWVOAEK-UHFFFAOYSA-N
XLogP4.87
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.85
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-2-N-(5-morpholin-4-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 16654980
CID 16654980
CID 134812633
CID 134812633
CID 70702158
CID 70702158
CID 5328348
CID 5328348
CID 5330380
CID 5330380
CID 156587340
CID 156587340
CID 156768862
CID 156768862
CID 22030187
CID 22030187
CID 49857283
CID 49857283
CID 118475754
CID 118475754
CID 5328328
CID 5328328
CID 5328378
CID 5328378

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(5-morpholin-4-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-(5-morpholin-4-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 164613244) is 5-chloro-2-N-(5-morpholin-4-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-(5-morpholin-4-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-(5-morpholin-4-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is FC(F)(F)c1cccc(Nc2nc(Nc3ccc(N4CCOCC4)cn3)ncc2Cl)c1.
What is the InChIKey of 5-chloro-2-N-(5-morpholin-4-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is RDHOWKSYWVOAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N6O/c21-16-12-26-19(28-17-5-4-15(11-25-17)30-6-8-31-9-7-30)29-18(16)27-14-3-1-2-13(10-14)20(22,23)24/h1-5,10-12H,6-9H2,(H2,25,26,27,28,29).
What are the key properties of 5-chloro-2-N-(5-morpholin-4-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
5-chloro-2-N-(5-morpholin-4-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 450.85 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(5-morpholin-4-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 164613244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).