2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane

C17H26N4 — CID 102850496

IUPAC2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane
SMILESc1nc2c(c(N3CCCC4(CCCNC4)C3)n1)CCCC2
InChIInChI=1S/C17H26N4/c1-2-6-15-14(5-1)16(20-13-19-15)21-10-4-8-17(12-21)7-3-9-18-11-17/h13,18H,1-12H2
InChIKeyXUSWFMRXLXDBLI-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.33
Rot. Bonds1

About 2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane

2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane (PubChem CID 102850496) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane
PubChem CID102850496
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane
SMILESc1nc2c(c(N3CCCC4(CCCNC4)C3)n1)CCCC2
InChIInChI=1S/C17H26N4/c1-2-6-15-14(5-1)16(20-13-19-15)21-10-4-8-17(12-21)7-3-9-18-11-17/h13,18H,1-12H2
InChIKeyXUSWFMRXLXDBLI-UHFFFAOYSA-N
XLogP2.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
CID 154583498
4-(3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222689
7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 122559840
2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70742005
2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane
CID 102850610
5-bromo-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
CID 136742763
4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-iodo-1H-pyrimidin-6-one
CID 136742765
4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride
CID 154919890
2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane
CID 102850615
(6S)-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95861690
4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 3706864
1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-amine;dihydrochloride
CID 171689379

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane (CID 102850496) is 2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane is c1nc2c(c(N3CCCC4(CCCNC4)C3)n1)CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane?
The InChIKey is XUSWFMRXLXDBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-6-15-14(5-1)16(20-13-19-15)21-10-4-8-17(12-21)7-3-9-18-11-17/h13,18H,1-12H2.
What are the key properties of 2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane?
2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane has a molecular weight of 286.42 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102850496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).