N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide

C21H21FN4O — CID 109328531

IUPACN-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2F)nc(NCCc2ccccc2)n1
InChIInChI=1S/C21H21FN4O/c1-15-13-19(20(27)24-14-17-9-5-6-10-18(17)22)26-21(25-15)23-12-11-16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyWTENDZYBOMCMEH-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.51
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide

N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109328531) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109328531
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2F)nc(NCCc2ccccc2)n1
InChIInChI=1S/C21H21FN4O/c1-15-13-19(20(27)24-14-17-9-5-6-10-18(17)22)26-21(25-15)23-12-11-16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyWTENDZYBOMCMEH-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

2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328541
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327468
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330734
2-[2-(4-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329169
2-[2-(4-chlorophenyl)ethylamino]-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327477
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109329174
N-[(2-chlorophenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109328902
2-[(2-fluorophenyl)methylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321011
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329095
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109329427
N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323883

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide (CID 109328531) is N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccccc2F)nc(NCCc2ccccc2)n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is WTENDZYBOMCMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-15-13-19(20(27)24-14-17-9-5-6-10-18(17)22)26-21(25-15)23-12-11-16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-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 N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109328531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).