6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide

C20H28N4O2 — CID 112847511

IUPAC6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc(OCC)cc2)nc(C)n1
InChIInChI=1S/C20H28N4O2/c1-5-12-24(13-6-2)19-14-18(21-15(4)22-19)20(25)23-16-8-10-17(11-9-16)26-7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,23,25)
InChIKeyIFGPTZNIBMWPQM-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.06
Rot. Bonds9

About 6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide

6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112847511) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112847511
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc(OCC)cc2)nc(C)n1
InChIInChI=1S/C20H28N4O2/c1-5-12-24(13-6-2)19-14-18(21-15(4)22-19)20(25)23-16-8-10-17(11-9-16)26-7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,23,25)
InChIKeyIFGPTZNIBMWPQM-UHFFFAOYSA-N
XLogP4.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide
CID 112847506
6-(dipropylamino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847508
2-(dipropylamino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109175918
N-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849126
6-(4-chloroanilino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850131
N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide
CID 112847488
6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112846981
N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848508
2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335167
6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846812
6-[benzyl(ethyl)amino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109370607
N-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365450

Frequently Asked Questions

What is the IUPAC name of 6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide (CID 112847511) is 6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide is CCCN(CCC)c1cc(C(=O)Nc2ccc(OCC)cc2)nc(C)n1.
What is the InChIKey of 6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is IFGPTZNIBMWPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-5-12-24(13-6-2)19-14-18(21-15(4)22-19)20(25)23-16-8-10-17(11-9-16)26-7-3/h8-11,14H,5-7,12-13H2,1-4H3,(H,23,25).
What are the key properties of 6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide?
6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112847511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).