N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide

C21H21FN4O — CID 109268092

IUPACN-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cnc(Nc2ccccc2F)nc1
InChIInChI=1S/C21H21FN4O/c1-3-14-8-7-9-15(4-2)19(14)26-20(27)16-12-23-21(24-13-16)25-18-11-6-5-10-17(18)22/h5-13H,3-4H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyJXHBSMRQZUZBDV-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.74
Rot. Bonds6

About N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide

N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide (PubChem CID 109268092) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
PubChem CID109268092
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cnc(Nc2ccccc2F)nc1
InChIInChI=1S/C21H21FN4O/c1-3-14-8-7-9-15(4-2)19(14)26-20(27)16-12-23-21(24-13-16)25-18-11-6-5-10-17(18)22/h5-13H,3-4H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyJXHBSMRQZUZBDV-UHFFFAOYSA-N
XLogP4.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267749
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109268108
2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265090
2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265294
N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268445
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109267292
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267415
2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109268408
2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268366
N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109266385
N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268447
N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268395

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide (CID 109268092) is N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide is CCc1cccc(CC)c1NC(=O)c1cnc(Nc2ccccc2F)nc1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
The InChIKey is JXHBSMRQZUZBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-3-14-8-7-9-15(4-2)19(14)26-20(27)16-12-23-21(24-13-16)25-18-11-6-5-10-17(18)22/h5-13H,3-4H2,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).