6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109351302

IUPAC6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2cc(C(=O)Nc3ccccc3C)ncn2)c1
InChIInChI=1S/C21H22N4O2/c1-15-6-3-4-9-18(15)25-21(26)19-13-20(24-14-23-19)22-11-10-16-7-5-8-17(12-16)27-2/h3-9,12-14H,10-11H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyDZBWUSOOXQKZAC-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.70
Rot. Bonds7

About 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide

6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109351302) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109351302
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2cc(C(=O)Nc3ccccc3C)ncn2)c1
InChIInChI=1S/C21H22N4O2/c1-15-6-3-4-9-18(15)25-21(26)19-13-20(24-14-23-19)22-11-10-16-7-5-8-17(12-16)27-2/h3-9,12-14H,10-11H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyDZBWUSOOXQKZAC-UHFFFAOYSA-N
XLogP3.70
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351301
6-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109351304
N-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351338
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340422
6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348949
6-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109351294
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351447
6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109351295
6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109350844
N-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353533
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347068
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351358

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide (CID 109351302) is 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide is COc1cccc(CCNc2cc(C(=O)Nc3ccccc3C)ncn2)c1.
What is the InChIKey of 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is DZBWUSOOXQKZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-6-3-4-9-18(15)25-21(26)19-13-20(24-14-23-19)22-11-10-16-7-5-8-17(12-16)27-2/h3-9,12-14H,10-11H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide?
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109351302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).