5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C20H18ClF3N6O — CID 170547346

IUPAC5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)nc2)ncc1Cl
InChIInChI=1S/C20H18ClF3N6O/c21-15-12-26-19(27-13-5-6-17(25-11-13)30-7-9-31-10-8-30)29-18(15)28-16-4-2-1-3-14(16)20(22,23)24/h1-6,11-12H,7-10H2,(H2,26,27,28,29)
InChIKeyHKPJTERYTYBHLZ-UHFFFAOYSA-N
MW450.85 g/mol
LogP4.87
Rot. Bonds5

About 5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 170547346) has the molecular formula C20H18ClF3N6O and a molecular weight of 450.85 g/mol. Its IUPAC name is 5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID170547346
Molecular FormulaC20H18ClF3N6O
Molecular Weight450.85 g/mol
Exact Mass450.12
IUPAC Name5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)nc2)ncc1Cl
InChIInChI=1S/C20H18ClF3N6O/c21-15-12-26-19(27-13-5-6-17(25-11-13)30-7-9-31-10-8-30)29-18(15)28-16-4-2-1-3-14(16)20(22,23)24/h1-6,11-12H,7-10H2,(H2,26,27,28,29)
InChIKeyHKPJTERYTYBHLZ-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

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Related Compounds

2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372
N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 24997391
1-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]-3-cyclohexylurea
CID 59363109
1-[4-[[5-chloro-4-(3-methoxy-2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 175062394
2-[[5-chloro-2-(3-fluoro-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzamide
CID 90667141
3-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]thiophene-2-carboxylic acid
CID 175696484
2-[[5-chloro-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-6-[(2-fluorophenyl)methoxy]benzonitrile
CID 156817889
8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118163034
2-[[5-chloro-2-(3-fluoro-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-methoxybenzamide
CID 172553198
2-N-(3,4-dichlorophenyl)-4-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 21080474
5-chloro-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 170547389
5-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-phenylpyrimidine-2,4-diamine
CID 156768854

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 170547346) is 5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is FC(F)(F)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)nc2)ncc1Cl.
What is the InChIKey of 5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is HKPJTERYTYBHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N6O/c21-15-12-26-19(27-13-5-6-17(25-11-13)30-7-9-31-10-8-30)29-18(15)28-16-4-2-1-3-14(16)20(22,23)24/h1-6,11-12H,7-10H2,(H2,26,27,28,29).
What are the key properties of 5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(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-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 170547346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).