5-cyclobutyl-15-pyrimidin-2-yl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraene

C22H26N6 — CID 46870858

IUPAC5-cyclobutyl-15-pyrimidin-2-yl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraene
SMILESc1cnc(N2CCc3cc4nc5n(c4cc3C2)CCN(C2CCC2)CC5)nc1
InChIInChI=1S/C22H26N6/c1-3-18(4-1)26-10-6-21-25-19-13-16-5-9-27(22-23-7-2-8-24-22)15-17(16)14-20(19)28(21)12-11-26/h2,7-8,13-14,18H,1,3-6,9-12,15H2
InChIKeyKOLZELIWRXGEJH-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.80
Rot. Bonds2

About 5-cyclobutyl-15-pyrimidin-2-yl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraene

5-cyclobutyl-15-pyrimidin-2-yl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraene (PubChem CID 46870858) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-cyclobutyl-15-pyrimidin-2-yl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraene.

Molecular Properties

Compound Name5-cyclobutyl-15-pyrimidin-2-yl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraene
PubChem CID46870858
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name5-cyclobutyl-15-pyrimidin-2-yl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraene
SMILESc1cnc(N2CCc3cc4nc5n(c4cc3C2)CCN(C2CCC2)CC5)nc1
InChIInChI=1S/C22H26N6/c1-3-18(4-1)26-10-6-21-25-19-13-16-5-9-27(22-23-7-2-8-24-22)15-17(16)14-20(19)28(21)12-11-26/h2,7-8,13-14,18H,1,3-6,9-12,15H2
InChIKeyKOLZELIWRXGEJH-UHFFFAOYSA-N
XLogP2.80
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-cyclobutyl-15-pyrimidin-2-yl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraene with MolForge

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Related Compounds

1-(5-cyclobutyl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraen-15-yl)ethanone
CID 46870859
3-cyclobutyl-8-(4-cyclobutylpiperazin-1-yl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 58063723
3-cyclobutyl-8-pyridin-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 56644753
3-cyclobutyl-8-phenyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 58063789
3-cyclobutyl-9-pyrazol-1-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 66680032
3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole-8-carbonitrile
CID 58063984
3-cyclobutyl-10-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[1,2-a]benzimidazole
CID 51002040
3-cyclobutyl-8-(2-methylpyrimidin-5-yl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 58063862
1-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N,N-dimethylmethanamine
CID 58063893
3-cyclobutyl-8-(4-methylimidazol-1-yl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 46871613
3-cyclobutyl-9-(4-propan-2-ylpiperazin-1-yl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 66680494
3-cyclobutyl-8-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 58063740

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-15-pyrimidin-2-yl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraene?
The IUPAC name of 5-cyclobutyl-15-pyrimidin-2-yl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraene (CID 46870858) is 5-cyclobutyl-15-pyrimidin-2-yl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraene.
What is the SMILES notation for 5-cyclobutyl-15-pyrimidin-2-yl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraene?
The canonical SMILES for 5-cyclobutyl-15-pyrimidin-2-yl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraene is c1cnc(N2CCc3cc4nc5n(c4cc3C2)CCN(C2CCC2)CC5)nc1.
What is the InChIKey of 5-cyclobutyl-15-pyrimidin-2-yl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraene?
The InChIKey is KOLZELIWRXGEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-3-18(4-1)26-10-6-21-25-19-13-16-5-9-27(22-23-7-2-8-24-22)15-17(16)14-20(19)28(21)12-11-26/h2,7-8,13-14,18H,1,3-6,9-12,15H2.
What are the key properties of 5-cyclobutyl-15-pyrimidin-2-yl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraene?
5-cyclobutyl-15-pyrimidin-2-yl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraene has a molecular weight of 374.49 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-15-pyrimidin-2-yl-2,5,9,15-tetrazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),8,11,17-tetraene is sourced from PubChem (CID 46870858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).