N-[(2-methoxyphenyl)methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide

C20H19N3O2 — CID 122134623

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cncnc1-c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-23(13-16-10-6-7-11-18(16)25-2)20(24)17-12-21-14-22-19(17)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3
InChIKeyBHBRIJOUITVPPM-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.42
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide

N-[(2-methoxyphenyl)methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide (PubChem CID 122134623) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide
PubChem CID122134623
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cncnc1-c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-23(13-16-10-6-7-11-18(16)25-2)20(24)17-12-21-14-22-19(17)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3
InChIKeyBHBRIJOUITVPPM-UHFFFAOYSA-N
XLogP3.42
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide
CID 142667584
N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 31234095
5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 61112841
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62160081
N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 38005257
5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 103803183
2-amino-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105385482
6-amino-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62239842
3-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 61417620
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911
4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 17412285
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide (CID 122134623) is N-[(2-methoxyphenyl)methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide is COc1ccccc1CN(C)C(=O)c1cncnc1-c1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide?
The InChIKey is BHBRIJOUITVPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23(13-16-10-6-7-11-18(16)25-2)20(24)17-12-21-14-22-19(17)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide?
N-[(2-methoxyphenyl)methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 122134623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).