4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide

C15H17N3O — CID 110850738

IUPAC4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1c(C)ncnc1C
InChIInChI=1S/C15H17N3O/c1-10-6-4-5-7-13(10)8-16-15(19)14-11(2)17-9-18-12(14)3/h4-7,9H,8H2,1-3H3,(H,16,19)
InChIKeyZDQDZIISKBWJDN-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.33
Rot. Bonds3

About 4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide

4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 110850738) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID110850738
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1c(C)ncnc1C
InChIInChI=1S/C15H17N3O/c1-10-6-4-5-7-13(10)8-16-15(19)14-11(2)17-9-18-12(14)3/h4-7,9H,8H2,1-3H3,(H,16,19)
InChIKeyZDQDZIISKBWJDN-UHFFFAOYSA-N
XLogP2.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110850663
3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide
CID 110850751
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide
CID 17418457
2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703963
N-[(2-methylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 110850726
N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 47233638
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
2-amino-6-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 81421054

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide (CID 110850738) is 4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide is Cc1ccccc1CNC(=O)c1c(C)ncnc1C.
What is the InChIKey of 4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is ZDQDZIISKBWJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-6-4-5-7-13(10)8-16-15(19)14-11(2)17-9-18-12(14)3/h4-7,9H,8H2,1-3H3,(H,16,19).
What are the key properties of 4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide?
4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110850738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).