6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide

C21H21FN4O — CID 109369233

IUPAC6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccc(F)cc2)cc(C(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C21H21FN4O/c1-14(17-6-4-3-5-7-17)24-21(27)19-12-20(26-15(2)25-19)23-13-16-8-10-18(22)11-9-16/h3-12,14H,13H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyDZZVULSVBLAQJE-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.03
Rot. Bonds6

About 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide

6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109369233) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109369233
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccc(F)cc2)cc(C(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C21H21FN4O/c1-14(17-6-4-3-5-7-17)24-21(27)19-12-20(26-15(2)25-19)23-13-16-8-10-18(22)11-9-16/h3-12,14H,13H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyDZZVULSVBLAQJE-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369187
6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109369846
6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369260
N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109362538
6-(tert-butylamino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369870
6-(4-acetamidoanilino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369314
6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109368359
N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109347642
6-(3-acetamidoanilino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369313
N-benzyl-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109368366
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851605

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide (CID 109369233) is 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide is Cc1nc(NCc2ccc(F)cc2)cc(C(=O)NC(C)c2ccccc2)n1.
What is the InChIKey of 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is DZZVULSVBLAQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14(17-6-4-3-5-7-17)24-21(27)19-12-20(26-15(2)25-19)23-13-16-8-10-18(22)11-9-16/h3-12,14H,13H2,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide?
6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109369233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).