N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide

C20H28N4O — CID 112847488

IUPACN-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2cccc(C)c2C)nc(C)n1
InChIInChI=1S/C20H28N4O/c1-6-11-24(12-7-2)19-13-18(21-16(5)22-19)20(25)23-17-10-8-9-14(3)15(17)4/h8-10,13H,6-7,11-12H2,1-5H3,(H,23,25)
InChIKeyJQGUVIFHJHUEML-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.28
Rot. Bonds7

About N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide

N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112847488) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID112847488
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2cccc(C)c2C)nc(C)n1
InChIInChI=1S/C20H28N4O/c1-6-11-24(12-7-2)19-13-18(21-16(5)22-19)20(25)23-17-10-8-9-14(3)15(17)4/h8-10,13H,6-7,11-12H2,1-5H3,(H,23,25)
InChIKeyJQGUVIFHJHUEML-UHFFFAOYSA-N
XLogP4.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334127
6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369384
6-(dipropylamino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847508
N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide
CID 112847506
6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 112846922
N-(2,3-dimethylphenyl)-6-(dipropylamino)pyridine-3-carboxamide
CID 109161803
N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846721
6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847511
6-(dipropylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369267
6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846812
6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368287
5-(diethylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109286882

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide (CID 112847488) is N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide is CCCN(CCC)c1cc(C(=O)Nc2cccc(C)c2C)nc(C)n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is JQGUVIFHJHUEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-6-11-24(12-7-2)19-13-18(21-16(5)22-19)20(25)23-17-10-8-9-14(3)15(17)4/h8-10,13H,6-7,11-12H2,1-5H3,(H,23,25).
What are the key properties of N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide?
N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112847488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).