2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide

C21H21FN4O — CID 109332533

IUPAC2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCCc2ccccc2)nc(Nc2ccccc2F)n1
InChIInChI=1S/C21H21FN4O/c1-15-14-19(20(27)23-13-7-10-16-8-3-2-4-9-16)26-21(24-15)25-18-12-6-5-11-17(18)22/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyADJWAFIJPIHJGC-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.03
Rot. Bonds7

About 2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide

2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide (PubChem CID 109332533) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
PubChem CID109332533
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCCc2ccccc2)nc(Nc2ccccc2F)n1
InChIInChI=1S/C21H21FN4O/c1-15-14-19(20(27)23-13-7-10-16-8-3-2-4-9-16)26-21(24-15)25-18-12-6-5-11-17(18)22/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyADJWAFIJPIHJGC-UHFFFAOYSA-N
XLogP4.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332517
2-(2-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330039
2-(3-chloro-4-methylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332541
6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109330522
N-(2,6-difluorophenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336774
6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109333426
2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109326812
N-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336679
2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324175
N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109328531
N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109332952
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920090

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide (CID 109332533) is 2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCCc2ccccc2)nc(Nc2ccccc2F)n1.
What is the InChIKey of 2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The InChIKey is ADJWAFIJPIHJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-15-14-19(20(27)23-13-7-10-16-8-3-2-4-9-16)26-21(24-15)25-18-12-6-5-11-17(18)22/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109332533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).