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

C22H24N4O2 — CID 109330975

IUPACN-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(C)nc(Nc2cccc(C)c2)n1
InChIInChI=1S/C22H24N4O2/c1-15-7-6-9-18(13-15)25-22-24-16(2)14-19(26-22)21(27)23-12-11-17-8-4-5-10-20(17)28-3/h4-10,13-14H,11-12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeySNBRVYDUFMRHDT-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.82
Rot. Bonds7

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

N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109330975) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
PubChem CID109330975
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(C)nc(Nc2cccc(C)c2)n1
InChIInChI=1S/C22H24N4O2/c1-15-7-6-9-18(13-15)25-22-24-16(2)14-19(26-22)21(27)23-12-11-17-8-4-5-10-20(17)28-3/h4-10,13-14H,11-12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeySNBRVYDUFMRHDT-UHFFFAOYSA-N
XLogP3.82
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109330976
2-(tert-butylamino)-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330964
N-(2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334921
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331076
6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332517
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109330967
6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333205
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329095
2-[2-(2-methoxyphenyl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109330925
2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330771
2-(3-acetylanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330783
N-(3-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330950

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide (CID 109330975) is N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide is COc1ccccc1CCNC(=O)c1cc(C)nc(Nc2cccc(C)c2)n1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is SNBRVYDUFMRHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-7-6-9-18(13-15)25-22-24-16(2)14-19(26-22)21(27)23-12-11-17-8-4-5-10-20(17)28-3/h4-10,13-14H,11-12H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109330975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).