N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

C18H20F3N5O2 — CID 109344651

IUPACN-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(Nc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C18H20F3N5O2/c19-18(20,21)13-1-3-14(4-2-13)25-16-11-15(23-12-24-16)17(27)22-5-6-26-7-9-28-10-8-26/h1-4,11-12H,5-10H2,(H,22,27)(H,23,24,25)
InChIKeyBVFXYOQVQBDVAI-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.30
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (PubChem CID 109344651) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
PubChem CID109344651
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC NameN-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(Nc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C18H20F3N5O2/c19-18(20,21)13-1-3-14(4-2-13)25-16-11-15(23-12-24-16)17(27)22-5-6-26-7-9-28-10-8-26/h1-4,11-12H,5-10H2,(H,22,27)(H,23,24,25)
InChIKeyBVFXYOQVQBDVAI-UHFFFAOYSA-N
XLogP2.30
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344634
6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344662
N-(4-tert-butylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344488
N-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109350612
6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109344513
N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109344569
N-(oxolan-2-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109343999
6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344547
N-(2-morpholin-4-ylethyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109344568
N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344446
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113010875
N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 10091411

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (CID 109344651) is N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is O=C(NCCN1CCOCC1)c1cc(Nc2ccc(C(F)(F)F)cc2)ncn1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The InChIKey is BVFXYOQVQBDVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c19-18(20,21)13-1-3-14(4-2-13)25-16-11-15(23-12-24-16)17(27)22-5-6-26-7-9-28-10-8-26/h1-4,11-12H,5-10H2,(H,22,27)(H,23,24,25).
What are the key properties of N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109344651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).