N-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide

C21H21N3O3 — CID 121167899

IUPACN-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(OCc3ccccc3)ncn2)c1
InChIInChI=1S/C21H21N3O3/c1-26-18-9-5-8-16(12-18)10-11-22-21(25)19-13-20(24-15-23-19)27-14-17-6-3-2-4-7-17/h2-9,12-13,15H,10-11,14H2,1H3,(H,22,25)
InChIKeyXIHNMOZWZXKCDT-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.04
Rot. Bonds8

About N-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide (PubChem CID 121167899) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide
PubChem CID121167899
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(OCc3ccccc3)ncn2)c1
InChIInChI=1S/C21H21N3O3/c1-26-18-9-5-8-16(12-18)10-11-22-21(25)19-13-20(24-15-23-19)27-14-17-6-3-2-4-7-17/h2-9,12-13,15H,10-11,14H2,1H3,(H,22,25)
InChIKeyXIHNMOZWZXKCDT-UHFFFAOYSA-N
XLogP3.04
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109351369
6-(diethylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351354
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973
2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 564164
[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate
CID 69160390
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351358
6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109350844
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088169
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109351367
N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide
CID 91816344
6-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109351294
6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109351295

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide (CID 121167899) is N-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide is COc1cccc(CCNC(=O)c2cc(OCc3ccccc3)ncn2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide?
The InChIKey is XIHNMOZWZXKCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-18-9-5-8-16(12-18)10-11-22-21(25)19-13-20(24-15-23-19)27-14-17-6-3-2-4-7-17/h2-9,12-13,15H,10-11,14H2,1H3,(H,22,25).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 121167899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).