N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide

C21H22N4O — CID 112848484

IUPACN-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(N(C)c2ccccc2)nc(C)n1
InChIInChI=1S/C21H22N4O/c1-4-16-10-8-9-13-18(16)24-21(26)19-14-20(23-15(2)22-19)25(3)17-11-6-5-7-12-17/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyVDWDSCBXHXMCOG-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.37
Rot. Bonds5

About N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide

N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide (PubChem CID 112848484) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
PubChem CID112848484
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(N(C)c2ccccc2)nc(C)n1
InChIInChI=1S/C21H22N4O/c1-4-16-10-8-9-13-18(16)24-21(26)19-14-20(23-15(2)22-19)25(3)17-11-6-5-7-12-17/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyVDWDSCBXHXMCOG-UHFFFAOYSA-N
XLogP4.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848531
6-[benzyl(methyl)amino]-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369385
2-methyl-6-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112848488
6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 75538748
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109372526
N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848508
N-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849486
N-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848502
N-(2-ethylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364710
N-(2-ethylphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849362
N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362787
N-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365071

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide (CID 112848484) is N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1cc(N(C)c2ccccc2)nc(C)n1.
What is the InChIKey of N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is VDWDSCBXHXMCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-16-10-8-9-13-18(16)24-21(26)19-14-20(23-15(2)22-19)25(3)17-11-6-5-7-12-17/h5-14H,4H2,1-3H3,(H,24,26).
What are the key properties of N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide?
N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112848484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).