[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone

C23H33N5O — CID 109310419

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone
SMILESCCCN(CCC)c1nccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C23H33N5O/c1-5-12-28(13-6-2)23-24-11-10-20(25-23)22(29)27-16-14-26(15-17-27)21-9-7-8-18(3)19(21)4/h7-11H,5-6,12-17H2,1-4H3
InChIKeyAEJZFDNAXWAPEH-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.68
Rot. Bonds7

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone (PubChem CID 109310419) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone
PubChem CID109310419
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone
SMILESCCCN(CCC)c1nccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C23H33N5O/c1-5-12-28(13-6-2)23-24-11-10-20(25-23)22(29)27-16-14-26(15-17-27)21-9-7-8-18(3)19(21)4/h7-11H,5-6,12-17H2,1-4H3
InChIKeyAEJZFDNAXWAPEH-UHFFFAOYSA-N
XLogP3.68
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(dipropylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310660
[2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298477
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
CID 109201209
[2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109297901
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109310408
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
[6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109352986
N-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109079242
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110648961
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(diethylamino)pyrimidin-4-yl]methanone
CID 109310432

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone (CID 109310419) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone is CCCN(CCC)c1nccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)n1.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone?
The InChIKey is AEJZFDNAXWAPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-5-12-28(13-6-2)23-24-11-10-20(25-23)22(29)27-16-14-26(15-17-27)21-9-7-8-18(3)19(21)4/h7-11H,5-6,12-17H2,1-4H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone has a molecular weight of 395.55 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109310419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).