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

C21H22N4O2 — CID 109351367

IUPACN-[2-(3-methoxyphenyl)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(Nc3cccc(C)c3)ncn2)c1
InChIInChI=1S/C21H22N4O2/c1-15-5-3-7-17(11-15)25-20-13-19(23-14-24-20)21(26)22-10-9-16-6-4-8-18(12-16)27-2/h3-8,11-14H,9-10H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyKJCVXSSUZFIYOU-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.51
Rot. Bonds7

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

N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109351367) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide
PubChem CID109351367
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(Nc3cccc(C)c3)ncn2)c1
InChIInChI=1S/C21H22N4O2/c1-15-5-3-7-17(11-15)25-20-13-19(23-14-24-20)21(26)22-10-9-16-6-4-8-18(12-16)27-2/h3-8,11-14H,9-10H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyKJCVXSSUZFIYOU-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109353678
4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214408
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351358
6-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109351294
6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109351295
6-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109351304
6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109350844
N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109356884
6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351301
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340422
N-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167899
6-(diethylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351354

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide (CID 109351367) is N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide is COc1cccc(CCNC(=O)c2cc(Nc3cccc(C)c3)ncn2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is KJCVXSSUZFIYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-5-3-7-17(11-15)25-20-13-19(23-14-24-20)21(26)22-10-9-16-6-4-8-18(12-16)27-2/h3-8,11-14H,9-10H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109351367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).