2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide

C17H13F3N6O2 — CID 134543214

IUPAC2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide
SMILESO=C(Nc1cncnc1OCC(F)(F)F)c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C17H13F3N6O2/c18-17(19,20)9-28-15-13(8-21-10-23-15)25-14(27)12-6-7-22-16(26-12)24-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,25,27)(H,22,24,26)
InChIKeyMDJOZDXRTJEZTG-UHFFFAOYSA-N
MW390.33 g/mol
LogP3.20
Rot. Bonds6

About 2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide

2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide (PubChem CID 134543214) has the molecular formula C17H13F3N6O2 and a molecular weight of 390.33 g/mol. Its IUPAC name is 2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide
PubChem CID134543214
Molecular FormulaC17H13F3N6O2
Molecular Weight390.33 g/mol
Exact Mass390.11
IUPAC Name2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide
SMILESO=C(Nc1cncnc1OCC(F)(F)F)c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C17H13F3N6O2/c18-17(19,20)9-28-15-13(8-21-10-23-15)25-14(27)12-6-7-22-16(26-12)24-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,25,27)(H,22,24,26)
InChIKeyMDJOZDXRTJEZTG-UHFFFAOYSA-N
XLogP3.20
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109313447
2-anilino-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109313456
2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 134556610
2-phenyl-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-8-carboxamide
CID 134551689
N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 153405710
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
2-(4-methylsulfanylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134543081
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109316584
2-(4-chloro-2-fluoroanilino)-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide
CID 175353463
2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109313491
2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134556611

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide (CID 134543214) is 2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide is O=C(Nc1cncnc1OCC(F)(F)F)c1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide?
The InChIKey is MDJOZDXRTJEZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O2/c18-17(19,20)9-28-15-13(8-21-10-23-15)25-14(27)12-6-7-22-16(26-12)24-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,25,27)(H,22,24,26).
What are the key properties of 2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide?
2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide has a molecular weight of 390.33 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 134543214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).