6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C20H21N5O — CID 109370881

IUPAC6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)NCc3ccccn3)nc(C)n2)c1
InChIInChI=1S/C20H21N5O/c1-13-8-14(2)10-17(9-13)25-19-11-18(23-15(3)24-19)20(26)22-12-16-6-4-5-7-21-16/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyQTXXKWULOJZBDD-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.47
Rot. Bonds5

About 6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109370881) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109370881
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)NCc3ccccn3)nc(C)n2)c1
InChIInChI=1S/C20H21N5O/c1-13-8-14(2)10-17(9-13)25-19-11-18(23-15(3)24-19)20(26)22-12-16-6-4-5-7-21-16/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyQTXXKWULOJZBDD-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-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370880
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
4-(3,5-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212720
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370912
N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109368374
6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368142
N-(2-methoxyethyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109364829
6-methyl-2-(3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109329774
2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369063
6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120843
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370842

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 109370881) is 6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is Cc1cc(C)cc(Nc2cc(C(=O)NCc3ccccn3)nc(C)n2)c1.
What is the InChIKey of 6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is QTXXKWULOJZBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-8-14(2)10-17(9-13)25-19-11-18(23-15(3)24-19)20(26)22-12-16-6-4-5-7-21-16/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
6-(3,5-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-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109370881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).