2-(1H-benzimidazol-2-ylamino)-5-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one

C17H21N7O — CID 123435084

IUPAC2-(1H-benzimidazol-2-ylamino)-5-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCN1CCN(c2cnc(Nc3nc4ccccc4[nH]3)[nH]c2=O)CC1
InChIInChI=1S/C17H21N7O/c1-2-23-7-9-24(10-8-23)14-11-18-16(21-15(14)25)22-17-19-12-5-3-4-6-13(12)20-17/h3-6,11H,2,7-10H2,1H3,(H3,18,19,20,21,22,25)
InChIKeyIEPMHMPHQBQYRF-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.53
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylamino)-5-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one

2-(1H-benzimidazol-2-ylamino)-5-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 123435084) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylamino)-5-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylamino)-5-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID123435084
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name2-(1H-benzimidazol-2-ylamino)-5-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCN1CCN(c2cnc(Nc3nc4ccccc4[nH]3)[nH]c2=O)CC1
InChIInChI=1S/C17H21N7O/c1-2-23-7-9-24(10-8-23)14-11-18-16(21-15(14)25)22-17-19-12-5-3-4-6-13(12)20-17/h3-6,11H,2,7-10H2,1H3,(H3,18,19,20,21,22,25)
InChIKeyIEPMHMPHQBQYRF-UHFFFAOYSA-N
XLogP1.53
TPSA92.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

bis(2-(4-ethylpiperazin-1-yl)-1H-benzimidazole);hydrate;tetrahydrochloride
CID 67157381
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346
N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide
CID 156631177
6-[4-(4-ethylpiperazin-1-yl)anilino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167968460
2-(1H-benzimidazol-2-yl)-5-[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-1H-pyrazol-3-one
CID 66504229
2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126891986
5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845418
1-[4-(4-ethylpiperazin-1-yl)quinolin-2-yl]-N-methylmethanamine
CID 63374122
N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine
CID 923999
5-[4-[(3-aminopropylamino)methyl]-2-fluorophenyl]-2-(1H-benzimidazol-2-ylamino)-1H-pyrimidin-6-one
CID 66581434
N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1H-benzimidazol-2-amine
CID 131963123
N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine
CID 133409906

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylamino)-5-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1H-benzimidazol-2-ylamino)-5-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 123435084) is 2-(1H-benzimidazol-2-ylamino)-5-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylamino)-5-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1H-benzimidazol-2-ylamino)-5-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one is CCN1CCN(c2cnc(Nc3nc4ccccc4[nH]3)[nH]c2=O)CC1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylamino)-5-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is IEPMHMPHQBQYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-2-23-7-9-24(10-8-23)14-11-18-16(21-15(14)25)22-17-19-12-5-3-4-6-13(12)20-17/h3-6,11H,2,7-10H2,1H3,(H3,18,19,20,21,22,25).
What are the key properties of 2-(1H-benzimidazol-2-ylamino)-5-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one?
2-(1H-benzimidazol-2-ylamino)-5-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 339.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylamino)-5-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 123435084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).