4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one

C19H23N7O — CID 133464172

IUPAC4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(NCCCc3nc4ccccc4[nH]3)ncn2)CC1=O
InChIInChI=1S/C19H23N7O/c1-25-9-10-26(12-19(25)27)18-11-17(21-13-22-18)20-8-4-7-16-23-14-5-2-3-6-15(14)24-16/h2-3,5-6,11,13H,4,7-10,12H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyPXRIZSBXTJYIDM-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.68
Rot. Bonds6

About 4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one

4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one (PubChem CID 133464172) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
PubChem CID133464172
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(NCCCc3nc4ccccc4[nH]3)ncn2)CC1=O
InChIInChI=1S/C19H23N7O/c1-25-9-10-26(12-19(25)27)18-11-17(21-13-22-18)20-8-4-7-16-23-14-5-2-3-6-15(14)24-16/h2-3,5-6,11,13H,4,7-10,12H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyPXRIZSBXTJYIDM-UHFFFAOYSA-N
XLogP1.68
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.68
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

N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133359380
4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 100648289
1-methyl-4-[6-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]piperazin-2-one
CID 133464683
N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 133492568
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine
CID 134713026
1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-4-yl]piperazin-2-one
CID 133489692
4-[6-[(2-hydroxy-2-methylbutyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464327
6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-(cyclopropylmethyl)pyrimidin-4-amine
CID 75433494
4-[6-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464287
(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
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
CID 95216424

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one (CID 133464172) is 4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one is CN1CCN(c2cc(NCCCc3nc4ccccc4[nH]3)ncn2)CC1=O.
What is the InChIKey of 4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The InChIKey is PXRIZSBXTJYIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-25-9-10-26(12-19(25)27)18-11-17(21-13-22-18)20-8-4-7-16-23-14-5-2-3-6-15(14)24-16/h2-3,5-6,11,13H,4,7-10,12H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one has a molecular weight of 365.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 133464172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).