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

C20H20N4O2 — CID 109351301

IUPAC6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2cc(C(=O)Nc3ccccc3)ncn2)c1
InChIInChI=1S/C20H20N4O2/c1-26-17-9-5-6-15(12-17)10-11-21-19-13-18(22-14-23-19)20(25)24-16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyOINOCKQMTJAVLX-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.39
Rot. Bonds7

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

6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide (PubChem CID 109351301) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
PubChem CID109351301
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2cc(C(=O)Nc3ccccc3)ncn2)c1
InChIInChI=1S/C20H20N4O2/c1-26-17-9-5-6-15(12-17)10-11-21-19-13-18(22-14-23-19)20(25)24-16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyOINOCKQMTJAVLX-UHFFFAOYSA-N
XLogP3.39
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-methylphenyl)pyrimidine-4-carboxamide
CID 109351302
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-pentylpyrimidine-4-carboxamide
CID 109351295
6-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109351294
6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109350844
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351316
6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide
CID 68558474
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-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide (CID 109351301) is 6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide is COc1cccc(CCNc2cc(C(=O)Nc3ccccc3)ncn2)c1.
What is the InChIKey of 6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide?
The InChIKey is OINOCKQMTJAVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-17-9-5-6-15(12-17)10-11-21-19-13-18(22-14-23-19)20(25)24-16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide?
6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.39, 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-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109351301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).