2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide

C20H28N4O — CID 109330461

IUPAC2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nc(C)cc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C20H28N4O/c1-4-13-24(14-5-2)20-22-16(3)15-18(23-20)19(25)21-12-11-17-9-7-6-8-10-17/h6-10,15H,4-5,11-14H2,1-3H3,(H,21,25)
InChIKeyOYDMHJLHEQMYLY-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.38
Rot. Bonds9

About 2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide

2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109330461) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109330461
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nc(C)cc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C20H28N4O/c1-4-13-24(14-5-2)20-22-16(3)15-18(23-20)19(25)21-12-11-17-9-7-6-8-10-17/h6-10,15H,4-5,11-14H2,1-3H3,(H,21,25)
InChIKeyOYDMHJLHEQMYLY-UHFFFAOYSA-N
XLogP3.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109325078
2-(diethylamino)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyrimidine-4-carboxamide
CID 56731093
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574
2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330013
2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328218
2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332530
N-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109328910
2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109331655
2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331713
2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323397
2-[benzyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328240
2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide
CID 109320759

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109330461) is 2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide is CCCN(CCC)c1nc(C)cc(C(=O)NCCc2ccccc2)n1.
What is the InChIKey of 2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is OYDMHJLHEQMYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-4-13-24(14-5-2)20-22-16(3)15-18(23-20)19(25)21-12-11-17-9-7-6-8-10-17/h6-10,15H,4-5,11-14H2,1-3H3,(H,21,25).
What are the key properties of 2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109330461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).