5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one

C17H19N5O — CID 148878335

IUPAC5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one
SMILESO=C1Cc2ccc(Nc3ccnc(N4CCNCC4)n3)cc2C1
InChIInChI=1S/C17H19N5O/c23-15-10-12-1-2-14(9-13(12)11-15)20-16-3-4-19-17(21-16)22-7-5-18-6-8-22/h1-4,9,18H,5-8,10-11H2,(H,19,20,21)
InChIKeyPCOCGPRQTPTNPI-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.30
Rot. Bonds3

About 5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one

5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one (PubChem CID 148878335) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one
PubChem CID148878335
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one
SMILESO=C1Cc2ccc(Nc3ccnc(N4CCNCC4)n3)cc2C1
InChIInChI=1S/C17H19N5O/c23-15-10-12-1-2-14(9-13(12)11-15)20-16-3-4-19-17(21-16)22-7-5-18-6-8-22/h1-4,9,18H,5-8,10-11H2,(H,19,20,21)
InChIKeyPCOCGPRQTPTNPI-UHFFFAOYSA-N
XLogP1.30
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-piperazin-1-yl-N-(4-pyridazin-3-ylphenyl)pyrimidin-4-amine
CID 175927659
N-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-4-amine
CID 142537405
N-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine
CID 147378133
3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 87466229
4-pentyl-N-[4-[(2-piperazin-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 162659384
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
N-[2-[4-[5-[(2,3-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrimidin-4-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 126629912
5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one
CID 159120939
2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine
CID 121204945
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884090
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)pyrimidin-4-amine
CID 112898416
N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112901738

Frequently Asked Questions

What is the IUPAC name of 5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one?
The IUPAC name of 5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one (CID 148878335) is 5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one.
What is the SMILES notation for 5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one?
The canonical SMILES for 5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one is O=C1Cc2ccc(Nc3ccnc(N4CCNCC4)n3)cc2C1.
What is the InChIKey of 5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one?
The InChIKey is PCOCGPRQTPTNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-15-10-12-1-2-14(9-13(12)11-15)20-16-3-4-19-17(21-16)22-7-5-18-6-8-22/h1-4,9,18H,5-8,10-11H2,(H,19,20,21).
What are the key properties of 5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one?
5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one has a molecular weight of 309.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one is sourced from PubChem (CID 148878335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).