N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide

C22H23FN4O — CID 109328470

IUPACN-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(C)nc(NCc2ccccc2F)n1
InChIInChI=1S/C22H23FN4O/c1-4-16-10-7-8-14(2)20(16)27-21(28)19-12-15(3)25-22(26-19)24-13-17-9-5-6-11-18(17)23/h5-12H,4,13H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyMHMCALQWHUBXGX-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.66
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide

N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109328470) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
PubChem CID109328470
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(C)nc(NCc2ccccc2F)n1
InChIInChI=1S/C22H23FN4O/c1-4-16-10-7-8-14(2)20(16)27-21(28)19-12-15(3)25-22(26-19)24-13-17-9-5-6-11-18(17)23/h5-12H,4,13H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyMHMCALQWHUBXGX-UHFFFAOYSA-N
XLogP4.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methylamino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109328473
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330696
N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318967
N-(2-fluorophenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327406
N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328519
N-(2-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327397
N-(3-fluorophenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327437
2-[(2-fluorophenyl)methylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321011
2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320523
N-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328498
N-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327398
2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336478

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide (CID 109328470) is N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide is CCc1cccc(C)c1NC(=O)c1cc(C)nc(NCc2ccccc2F)n1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is MHMCALQWHUBXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-4-16-10-7-8-14(2)20(16)27-21(28)19-12-15(3)25-22(26-19)24-13-17-9-5-6-11-18(17)23/h5-12H,4,13H2,1-3H3,(H,27,28)(H,24,25,26).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109328470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).