7-[propyl-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol

C23H33N5O — CID 52949476

IUPAC7-[propyl-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(c2ncccn2)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C23H33N5O/c1-2-10-27(21-6-4-19-5-7-22(29)18-20(19)17-21)14-11-26-12-15-28(16-13-26)23-24-8-3-9-25-23/h3,5,7-9,18,21,29H,2,4,6,10-17H2,1H3
InChIKeyQPFPLXIMWCZMQV-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.57
Rot. Bonds7

About 7-[propyl-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol

7-[propyl-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 52949476) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 7-[propyl-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-[propyl-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID52949476
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name7-[propyl-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(c2ncccn2)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C23H33N5O/c1-2-10-27(21-6-4-19-5-7-22(29)18-20(19)17-21)14-11-26-12-15-28(16-13-26)23-24-8-3-9-25-23/h3,5,7-9,18,21,29H,2,4,6,10-17H2,1H3
InChIKeyQPFPLXIMWCZMQV-UHFFFAOYSA-N
XLogP2.57
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[propyl-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-[propyl-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 52949476) is 7-[propyl-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 7-[propyl-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-[propyl-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCN(CCN1CCN(c2ncccn2)CC1)C1CCc2ccc(O)cc2C1.
What is the InChIKey of 7-[propyl-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is QPFPLXIMWCZMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-2-10-27(21-6-4-19-5-7-22(29)18-20(19)17-21)14-11-26-12-15-28(16-13-26)23-24-8-3-9-25-23/h3,5,7-9,18,21,29H,2,4,6,10-17H2,1H3.
What are the key properties of 7-[propyl-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
7-[propyl-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 395.55 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[propyl-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 52949476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).