[2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone

C16H14ClF3N4O2 — CID 109252168

IUPAC[2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(Nc2cc(C(F)(F)F)ccc2Cl)nc1)N1CCOCC1
InChIInChI=1S/C16H14ClF3N4O2/c17-12-2-1-11(16(18,19)20)7-13(12)23-15-21-8-10(9-22-15)14(25)24-3-5-26-6-4-24/h1-2,7-9H,3-6H2,(H,21,22,23)
InChIKeyBTDKQSZHABCXHU-UHFFFAOYSA-N
MW386.76 g/mol
LogP3.36
Rot. Bonds3

About [2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone

[2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone (PubChem CID 109252168) has the molecular formula C16H14ClF3N4O2 and a molecular weight of 386.76 g/mol. Its IUPAC name is [2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone
PubChem CID109252168
Molecular FormulaC16H14ClF3N4O2
Molecular Weight386.76 g/mol
Exact Mass386.08
IUPAC Name[2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(Nc2cc(C(F)(F)F)ccc2Cl)nc1)N1CCOCC1
InChIInChI=1S/C16H14ClF3N4O2/c17-12-2-1-11(16(18,19)20)7-13(12)23-15-21-8-10(9-22-15)14(25)24-3-5-26-6-4-24/h1-2,7-9H,3-6H2,(H,21,22,23)
InChIKeyBTDKQSZHABCXHU-UHFFFAOYSA-N
XLogP3.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53052655
[2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 109252130
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide
CID 109262415
[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153498
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184877
[2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302324
azepan-1-yl-[2-(2-chloroanilino)pyrimidin-5-yl]methanone
CID 109264876
methyl 4-chloro-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]benzoate
CID 109153479
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228686
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 112857141
[2-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253801
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 76884317

Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone (CID 109252168) is [2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone is O=C(c1cnc(Nc2cc(C(F)(F)F)ccc2Cl)nc1)N1CCOCC1.
What is the InChIKey of [2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is BTDKQSZHABCXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O2/c17-12-2-1-11(16(18,19)20)7-13(12)23-15-21-8-10(9-22-15)14(25)24-3-5-26-6-4-24/h1-2,7-9H,3-6H2,(H,21,22,23).
What are the key properties of [2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone?
[2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 386.76 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109252168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).