3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide

C24H28N4O — CID 46327059

IUPAC3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(Nc2cc(-c3cccc(C)c3)ncn2)c1
InChIInChI=1S/C24H28N4O/c1-4-12-28(13-5-2)24(29)20-10-7-11-21(15-20)27-23-16-22(25-17-26-23)19-9-6-8-18(3)14-19/h6-11,14-17H,4-5,12-13H2,1-3H3,(H,25,26,27)
InChIKeyJRCNWFGKVZRHGP-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.46
Rot. Bonds8

About 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide

3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide (PubChem CID 46327059) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
PubChem CID46327059
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(Nc2cc(-c3cccc(C)c3)ncn2)c1
InChIInChI=1S/C24H28N4O/c1-4-12-28(13-5-2)24(29)20-10-7-11-21(15-20)27-23-16-22(25-17-26-23)19-9-6-8-18(3)14-19/h6-11,14-17H,4-5,12-13H2,1-3H3,(H,25,26,27)
InChIKeyJRCNWFGKVZRHGP-UHFFFAOYSA-N
XLogP5.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 50783476
N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327073
6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355386
N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 50783608
N-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327066
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 50783882
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 92870064
1-[3-(6-anilinopyrimidin-4-yl)phenyl]ethanone
CID 117088334
N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327347
3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]-N-[2-(4-propylpiperazin-1-yl)ethyl]benzamide
CID 50783692
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162321
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92870057

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide (CID 46327059) is 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(Nc2cc(-c3cccc(C)c3)ncn2)c1.
What is the InChIKey of 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide?
The InChIKey is JRCNWFGKVZRHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-4-12-28(13-5-2)24(29)20-10-7-11-21(15-20)27-23-16-22(25-17-26-23)19-9-6-8-18(3)14-19/h6-11,14-17H,4-5,12-13H2,1-3H3,(H,25,26,27).
What are the key properties of 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide?
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide has a molecular weight of 388.52 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 46327059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).