6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide

C20H19FN4O — CID 109371777

IUPAC6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(NCCc2ccccc2F)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C20H19FN4O/c1-14-23-18(20(26)25-16-8-3-2-4-9-16)13-19(24-14)22-12-11-15-7-5-6-10-17(15)21/h2-10,13H,11-12H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyGGUQHSQWSWHKBN-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.83
Rot. Bonds6

About 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide

6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109371777) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109371777
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(NCCc2ccccc2F)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C20H19FN4O/c1-14-23-18(20(26)25-16-8-3-2-4-9-16)13-19(24-14)22-12-11-15-7-5-6-10-17(15)21/h2-10,13H,11-12H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyGGUQHSQWSWHKBN-UHFFFAOYSA-N
XLogP3.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371822
N-(4-ethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371808
N-(2,6-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371788
2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371473
N-(2,4-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371784
N-cyclopropyl-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109361002
N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369606
N-[2-(2-fluorophenyl)ethyl]-2-methyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109371828
6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369036
2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373529
6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109369598
N-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371487

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide (CID 109371777) is 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide is Cc1nc(NCCc2ccccc2F)cc(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is GGUQHSQWSWHKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-14-23-18(20(26)25-16-8-3-2-4-9-16)13-19(24-14)22-12-11-15-7-5-6-10-17(15)21/h2-10,13H,11-12H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide?
6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109371777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).