4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one

C18H24N6O — CID 100648289

IUPAC4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(NCCCNc3ccccc3)ncn2)CC1=O
InChIInChI=1S/C18H24N6O/c1-23-10-11-24(13-18(23)25)17-12-16(21-14-22-17)20-9-5-8-19-15-6-3-2-4-7-15/h2-4,6-7,12,14,19H,5,8-11,13H2,1H3,(H,20,21,22)
InChIKeyCSXYBXVWLIYIHX-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.67
Rot. Bonds7

About 4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one

4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one (PubChem CID 100648289) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
PubChem CID100648289
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(NCCCNc3ccccc3)ncn2)CC1=O
InChIInChI=1S/C18H24N6O/c1-23-10-11-24(13-18(23)25)17-12-16(21-14-22-17)20-9-5-8-19-15-6-3-2-4-7-15/h2-4,6-7,12,14,19H,5,8-11,13H2,1H3,(H,20,21,22)
InChIKeyCSXYBXVWLIYIHX-UHFFFAOYSA-N
XLogP1.67
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464172
N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 133492568
1-methyl-4-[6-[[1-(2-methylpropyl)cyclopropyl]methylamino]pyrimidin-4-yl]piperazin-2-one
CID 133493356
4-[6-[(2-hydroxy-2-methylbutyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464327
1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one
CID 133489692
1-methyl-4-[6-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]piperazin-2-one
CID 133464683
(2S)-4-methyl-2-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]pentanoic acid
CID 122050080
4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464744
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839
4-[6-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464287
4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 90453878
4-[6-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133492142

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one (CID 100648289) is 4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one is CN1CCN(c2cc(NCCCNc3ccccc3)ncn2)CC1=O.
What is the InChIKey of 4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The InChIKey is CSXYBXVWLIYIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-23-10-11-24(13-18(23)25)17-12-16(21-14-22-17)20-9-5-8-19-15-6-3-2-4-7-15/h2-4,6-7,12,14,19H,5,8-11,13H2,1H3,(H,20,21,22).
What are the key properties of 4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one has a molecular weight of 340.43 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 100648289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).