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

C22H24N4O2 — CID 109330976

IUPACN-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(C)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C22H24N4O2/c1-15-8-10-18(11-9-15)25-22-24-16(2)14-19(26-22)21(27)23-13-12-17-6-4-5-7-20(17)28-3/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyKVQHISSFUKDTRX-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.82
Rot. Bonds7

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

N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109330976) 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-(4-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
PubChem CID109330976
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(C)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C22H24N4O2/c1-15-8-10-18(11-9-15)25-22-24-16(2)14-19(26-22)21(27)23-13-12-17-6-4-5-7-20(17)28-3/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyKVQHISSFUKDTRX-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-(3-methylanilino)pyrimidine-4-carboxamide
CID 109330975
2-(tert-butylamino)-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330964
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109330967
2-[2-(2-methoxyphenyl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109330925
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329095
2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331159
N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109330766
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330945
2-(3-chloro-4-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308656
methyl 4-[[4-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112921006
2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331647
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331076

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide (CID 109330976) is N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide is COc1ccccc1CCNC(=O)c1cc(C)nc(Nc2ccc(C)cc2)n1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is KVQHISSFUKDTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-8-10-18(11-9-15)25-22-24-16(2)14-19(26-22)21(27)23-13-12-17-6-4-5-7-20(17)28-3/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(4-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-(4-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109330976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).