2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol

C19H27N5O2 — CID 54387885

IUPAC2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1CCCN1CCN(c3ncccn3)CC1)CCCC2
InChIInChI=1S/C19H27N5O2/c25-17-15-5-1-2-6-16(15)18(26)24(17)10-4-9-22-11-13-23(14-12-22)19-20-7-3-8-21-19/h3,7-8,25-26H,1-2,4-6,9-14H2
InChIKeyVENZDLMKZPYZIV-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.78
Rot. Bonds5

About 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol

2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol (PubChem CID 54387885) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
PubChem CID54387885
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1CCCN1CCN(c3ncccn3)CC1)CCCC2
InChIInChI=1S/C19H27N5O2/c25-17-15-5-1-2-6-16(15)18(26)24(17)10-4-9-22-11-13-23(14-12-22)19-20-7-3-8-21-19/h3,7-8,25-26H,1-2,4-6,9-14H2
InChIKeyVENZDLMKZPYZIV-UHFFFAOYSA-N
XLogP1.78
TPSA77.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol with MolForge

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Related Compounds

2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one
CID 10358464
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273
2-[4-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123386151
2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride
CID 46736988
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60849987
N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide
CID 14622622
4-oxo-4-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]phenyl]butanoic acid
CID 14423695
N-[1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propylidene]hydroxylamine
CID 73125691
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 91795590

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol?
The IUPAC name of 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol (CID 54387885) is 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol.
What is the SMILES notation for 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol?
The canonical SMILES for 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol is Oc1c2c(c(O)n1CCCN1CCN(c3ncccn3)CC1)CCCC2.
What is the InChIKey of 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol?
The InChIKey is VENZDLMKZPYZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c25-17-15-5-1-2-6-16(15)18(26)24(17)10-4-9-22-11-13-23(14-12-22)19-20-7-3-8-21-19/h3,7-8,25-26H,1-2,4-6,9-14H2.
What are the key properties of 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol?
2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol has a molecular weight of 357.46 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol is sourced from PubChem (CID 54387885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).