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

C22H24N4O3 — CID 109370347

IUPACN-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NCc3ccc(OC)cc3)nc(C)n2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-25-20(22(27)24-14-17-6-10-19(29-3)11-7-17)12-21(26-15)23-13-16-4-8-18(28-2)9-5-16/h4-12H,13-14H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyWXGXCDZYOFMLKJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.34
Rot. Bonds8

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

N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109370347) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
PubChem CID109370347
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NCc3ccc(OC)cc3)nc(C)n2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-25-20(22(27)24-14-17-6-10-19(29-3)11-7-17)12-21(26-15)23-13-16-4-8-18(28-2)9-5-16/h4-12H,13-14H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyWXGXCDZYOFMLKJ-UHFFFAOYSA-N
XLogP3.34
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370274
N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369650
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
6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370451
6-[(4-methoxyphenyl)methylamino]-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109370368
6-(2-methoxyethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364634
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365694
6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365850
6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370374
N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368382
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109370459

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide (CID 109370347) is N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide is COc1ccc(CNC(=O)c2cc(NCc3ccc(OC)cc3)nc(C)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is WXGXCDZYOFMLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-25-20(22(27)24-14-17-6-10-19(29-3)11-7-17)12-21(26-15)23-13-16-4-8-18(28-2)9-5-16/h4-12H,13-14H2,1-3H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109370347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).