2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide

C21H21FN4O — CID 109255820

IUPAC2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cnc(NCCc3ccccc3F)nc2)c1
InChIInChI=1S/C21H21FN4O/c1-15-5-4-6-16(11-15)12-24-20(27)18-13-25-21(26-14-18)23-10-9-17-7-2-3-8-19(17)22/h2-8,11,13-14H,9-10,12H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyCBNIXGAZZSWLPR-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.51
Rot. Bonds7

About 2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide

2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109255820) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109255820
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cnc(NCCc3ccccc3F)nc2)c1
InChIInChI=1S/C21H21FN4O/c1-15-5-4-6-16(11-15)12-24-20(27)18-13-25-21(26-14-18)23-10-9-17-7-2-3-8-19(17)22/h2-8,11,13-14H,9-10,12H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyCBNIXGAZZSWLPR-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255942
6-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109155884
2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258815
2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246508
2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255808
N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255947
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109256088
2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109248264
N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210289

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide (CID 109255820) is 2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide is Cc1cccc(CNC(=O)c2cnc(NCCc3ccccc3F)nc2)c1.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is CBNIXGAZZSWLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-15-5-4-6-16(11-15)12-24-20(27)18-13-25-21(26-14-18)23-10-9-17-7-2-3-8-19(17)22/h2-8,11,13-14H,9-10,12H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109255820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).