N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide

C21H20FN5O2 — CID 109270349

IUPACN-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc(Nc2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C21H20FN5O2/c22-16-4-3-5-17(12-16)25-20(28)15-13-23-21(24-14-15)26-18-6-1-2-7-19(18)27-8-10-29-11-9-27/h1-7,12-14H,8-11H2,(H,25,28)(H,23,24,26)
InChIKeyDKVDGMCOJGYXSG-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.45
Rot. Bonds5

About N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide

N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide (PubChem CID 109270349) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
PubChem CID109270349
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC NameN-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc(Nc2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C21H20FN5O2/c22-16-4-3-5-17(12-16)25-20(28)15-13-23-21(24-14-15)26-18-6-1-2-7-19(18)27-8-10-29-11-9-27/h1-7,12-14H,8-11H2,(H,25,28)(H,23,24,26)
InChIKeyDKVDGMCOJGYXSG-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-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265133
2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109270367
N-(3-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109270326
2-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270317
3-[[5-fluoro-2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-hydroxybenzamide
CID 175329947
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 50826567
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268433
N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
CID 109253442
2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109250604
2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109268903
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide
CID 109264608

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide (CID 109270349) is N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide is O=C(Nc1cccc(F)c1)c1cnc(Nc2ccccc2N2CCOCC2)nc1.
What is the InChIKey of N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide?
The InChIKey is DKVDGMCOJGYXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-16-4-3-5-17(12-16)25-20(28)15-13-23-21(24-14-15)26-18-6-1-2-7-19(18)27-8-10-29-11-9-27/h1-7,12-14H,8-11H2,(H,25,28)(H,23,24,26).
What are the key properties of N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide?
N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-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 N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109270349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).