2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide

C21H20FN5O2 — CID 109316472

IUPAC2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccnc(Nc2ccccc2F)n1
InChIInChI=1S/C21H20FN5O2/c22-15-5-1-2-6-16(15)25-21-23-10-9-18(26-21)20(28)24-17-7-3-4-8-19(17)27-11-13-29-14-12-27/h1-10H,11-14H2,(H,24,28)(H,23,25,26)
InChIKeyLKCLKXXEBNXJMW-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.45
Rot. Bonds5

About 2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide

2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109316472) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109316472
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccnc(Nc2ccccc2F)n1
InChIInChI=1S/C21H20FN5O2/c22-15-5-1-2-6-16(15)25-21-23-10-9-18(26-21)20(28)24-17-7-3-4-8-19(17)27-11-13-29-14-12-27/h1-10H,11-14H2,(H,24,28)(H,23,25,26)
InChIKeyLKCLKXXEBNXJMW-UHFFFAOYSA-N
XLogP3.45
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109313668
2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295475
N-(2-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301487
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109316435
2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109316502
1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 110425327
N-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109316487
N-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573960
N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide
CID 110862406
[2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309529
2-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109316500
2-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194788

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide (CID 109316472) is 2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1ccnc(Nc2ccccc2F)n1.
What is the InChIKey of 2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is LKCLKXXEBNXJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-15-5-1-2-6-16(15)25-21-23-10-9-18(26-21)20(28)24-17-7-3-4-8-19(17)27-11-13-29-14-12-27/h1-10H,11-14H2,(H,24,28)(H,23,25,26).
What are the key properties of 2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).