N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide

C21H21FN4O2 — CID 109369650

IUPACN-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)NCc3ccccc3F)nc(C)n2)cc1
InChIInChI=1S/C21H21FN4O2/c1-14-25-19(21(27)24-13-16-5-3-4-6-18(16)22)11-20(26-14)23-12-15-7-9-17(28-2)10-8-15/h3-11H,12-13H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeySOIVVYSWOQKQSO-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.47
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide

N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109369650) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
PubChem CID109369650
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)NCc3ccccc3F)nc(C)n2)cc1
InChIInChI=1S/C21H21FN4O2/c1-14-25-19(21(27)24-13-16-5-3-4-6-18(16)22)11-20(26-14)23-12-15-7-9-17(28-2)10-8-15/h3-11H,12-13H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeySOIVVYSWOQKQSO-UHFFFAOYSA-N
XLogP3.47
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109369561
N-[(2-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370274
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
N-benzyl-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109368366
6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369036
6-(tert-butylamino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369670
2-methyl-N-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368604
N-[(2-methoxyphenyl)methyl]-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370200
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109371210
methyl 2-[[6-[(2-fluorophenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109369728
6-(2-ethylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369694

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide (CID 109369650) is N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide is COc1ccc(CNc2cc(C(=O)NCc3ccccc3F)nc(C)n2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is SOIVVYSWOQKQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14-25-19(21(27)24-13-16-5-3-4-6-18(16)22)11-20(26-14)23-12-15-7-9-17(28-2)10-8-15/h3-11H,12-13H2,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109369650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).