2-[3,5,7-tri(pyrimidin-2-yl)cyclooctyl]pyrimidine

C24H24N8 — CID 58652019

IUPAC2-[3,5,7-tri(pyrimidin-2-yl)cyclooctyl]pyrimidine
SMILESc1cnc(C2CC(c3ncccn3)CC(c3ncccn3)CC(c3ncccn3)C2)nc1
InChIInChI=1S/C24H24N8/c1-5-25-21(26-6-1)17-13-18(22-27-7-2-8-28-22)15-20(24-31-11-4-12-32-24)16-19(14-17)23-29-9-3-10-30-23/h1-12,17-20H,13-16H2
InChIKeyHSOWPNUVIDGYEL-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.86
Rot. Bonds4

About 2-[3,5,7-tri(pyrimidin-2-yl)cyclooctyl]pyrimidine

2-[3,5,7-tri(pyrimidin-2-yl)cyclooctyl]pyrimidine (PubChem CID 58652019) has the molecular formula C24H24N8 and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-[3,5,7-tri(pyrimidin-2-yl)cyclooctyl]pyrimidine.

Molecular Properties

Compound Name2-[3,5,7-tri(pyrimidin-2-yl)cyclooctyl]pyrimidine
PubChem CID58652019
Molecular FormulaC24H24N8
Molecular Weight424.51 g/mol
Exact Mass424.21
IUPAC Name2-[3,5,7-tri(pyrimidin-2-yl)cyclooctyl]pyrimidine
SMILESc1cnc(C2CC(c3ncccn3)CC(c3ncccn3)CC(c3ncccn3)C2)nc1
InChIInChI=1S/C24H24N8/c1-5-25-21(26-6-1)17-13-18(22-27-7-2-8-28-22)15-20(24-31-11-4-12-32-24)16-19(14-17)23-29-9-3-10-30-23/h1-12,17-20H,13-16H2
InChIKeyHSOWPNUVIDGYEL-UHFFFAOYSA-N
XLogP3.86
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-cyclobutylpyrimidine
CID 18329571
(3aS)-5-pyrimidin-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
CID 170309280
4-pyrimidin-2-ylcyclohexan-1-ol
CID 19863149
2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine
CID 58652114
2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine
CID 58652054
2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine
CID 68856082
2-(2,5-dihydropyrimidin-2-yl)pyrimidine
CID 123732462
trans-(1S,2S)-2-pyrimidin-2-ylcyclobutane-1-carboxylic acid
CID 137356594
5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine
CID 138050657
ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid
CID 165405571
2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine
CID 25124332

Frequently Asked Questions

What is the IUPAC name of 2-[3,5,7-tri(pyrimidin-2-yl)cyclooctyl]pyrimidine?
The IUPAC name of 2-[3,5,7-tri(pyrimidin-2-yl)cyclooctyl]pyrimidine (CID 58652019) is 2-[3,5,7-tri(pyrimidin-2-yl)cyclooctyl]pyrimidine.
What is the SMILES notation for 2-[3,5,7-tri(pyrimidin-2-yl)cyclooctyl]pyrimidine?
The canonical SMILES for 2-[3,5,7-tri(pyrimidin-2-yl)cyclooctyl]pyrimidine is c1cnc(C2CC(c3ncccn3)CC(c3ncccn3)CC(c3ncccn3)C2)nc1.
What is the InChIKey of 2-[3,5,7-tri(pyrimidin-2-yl)cyclooctyl]pyrimidine?
The InChIKey is HSOWPNUVIDGYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8/c1-5-25-21(26-6-1)17-13-18(22-27-7-2-8-28-22)15-20(24-31-11-4-12-32-24)16-19(14-17)23-29-9-3-10-30-23/h1-12,17-20H,13-16H2.
What are the key properties of 2-[3,5,7-tri(pyrimidin-2-yl)cyclooctyl]pyrimidine?
2-[3,5,7-tri(pyrimidin-2-yl)cyclooctyl]pyrimidine has a molecular weight of 424.51 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5,7-tri(pyrimidin-2-yl)cyclooctyl]pyrimidine is sourced from PubChem (CID 58652019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).