N-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide

C21H21FN4O — CID 109347893

IUPACN-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(NCCc2ccc(F)cc2)ncn1
InChIInChI=1S/C21H21FN4O/c1-26(14-17-5-3-2-4-6-17)21(27)19-13-20(25-15-24-19)23-12-11-16-7-9-18(22)10-8-16/h2-10,13,15H,11-12,14H2,1H3,(H,23,24,25)
InChIKeyHFFCPUIDARBIIF-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.54
Rot. Bonds7

About N-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide

N-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide (PubChem CID 109347893) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
PubChem CID109347893
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(NCCc2ccc(F)cc2)ncn1
InChIInChI=1S/C21H21FN4O/c1-26(14-17-5-3-2-4-6-17)21(27)19-13-20(25-15-24-19)23-12-11-16-7-9-18(22)10-8-16/h2-10,13,15H,11-12,14H2,1H3,(H,23,24,25)
InChIKeyHFFCPUIDARBIIF-UHFFFAOYSA-N
XLogP3.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide
CID 109347946
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347263
N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109348287
N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide
CID 109340595
6-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351005
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109351052
N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342768
6-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339651
N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109352334
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350546
N-[2-(4-fluorophenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351098
N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353538

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide (CID 109347893) is N-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide is CN(Cc1ccccc1)C(=O)c1cc(NCCc2ccc(F)cc2)ncn1.
What is the InChIKey of N-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide?
The InChIKey is HFFCPUIDARBIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-26(14-17-5-3-2-4-6-17)21(27)19-13-20(25-15-24-19)23-12-11-16-7-9-18(22)10-8-16/h2-10,13,15H,11-12,14H2,1H3,(H,23,24,25).
What are the key properties of N-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide?
N-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109347893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).