6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C20H21N5O — CID 109370880

IUPAC6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C)c(C)c2)cc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C20H21N5O/c1-13-7-8-16(10-14(13)2)25-19-11-18(23-15(3)24-19)20(26)22-12-17-6-4-5-9-21-17/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyXDXCVKWTBPMFCI-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.47
Rot. Bonds5

About 6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109370880) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109370880
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C)c(C)c2)cc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C20H21N5O/c1-13-7-8-16(10-14(13)2)25-19-11-18(23-15(3)24-19)20(26)22-12-17-6-4-5-9-21-17/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyXDXCVKWTBPMFCI-UHFFFAOYSA-N
XLogP3.47
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370881
6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370894
6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370893
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370912
6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370451
N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109368374
N-(2-methoxyethyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109364829
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561
4-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212742
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919308
2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307099
6-(3,4-dimethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368685

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 109370880) is 6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is Cc1nc(Nc2ccc(C)c(C)c2)cc(C(=O)NCc2ccccn2)n1.
What is the InChIKey of 6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is XDXCVKWTBPMFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-7-8-16(10-14(13)2)25-19-11-18(23-15(3)24-19)20(26)22-12-17-6-4-5-9-21-17/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109370880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).