4-piperazin-1-ylspiro[6,8-dihydro-5H-quinazoline-7,1'-cyclohexane]-2-amine

C17H27N5 — CID 68561629

IUPAC4-piperazin-1-ylspiro[6,8-dihydro-5H-quinazoline-7,1'-cyclohexane]-2-amine
SMILESNc1nc2c(c(N3CCNCC3)n1)CCC1(CCCCC1)C2
InChIInChI=1S/C17H27N5/c18-16-20-14-12-17(5-2-1-3-6-17)7-4-13(14)15(21-16)22-10-8-19-9-11-22/h19H,1-12H2,(H2,18,20,21)
InChIKeyQHHFOBJMDHHKTM-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.91
Rot. Bonds1

About 4-piperazin-1-ylspiro[6,8-dihydro-5H-quinazoline-7,1'-cyclohexane]-2-amine

4-piperazin-1-ylspiro[6,8-dihydro-5H-quinazoline-7,1'-cyclohexane]-2-amine (PubChem CID 68561629) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 4-piperazin-1-ylspiro[6,8-dihydro-5H-quinazoline-7,1'-cyclohexane]-2-amine.

Molecular Properties

Compound Name4-piperazin-1-ylspiro[6,8-dihydro-5H-quinazoline-7,1'-cyclohexane]-2-amine
PubChem CID68561629
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name4-piperazin-1-ylspiro[6,8-dihydro-5H-quinazoline-7,1'-cyclohexane]-2-amine
SMILESNc1nc2c(c(N3CCNCC3)n1)CCC1(CCCCC1)C2
InChIInChI=1S/C17H27N5/c18-16-20-14-12-17(5-2-1-3-6-17)7-4-13(14)15(21-16)22-10-8-19-9-11-22/h19H,1-12H2,(H2,18,20,21)
InChIKeyQHHFOBJMDHHKTM-UHFFFAOYSA-N
XLogP1.91
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride
CID 68922662
4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
CID 154583498
2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 139665129
4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 83863076
4-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 97204819
1-[4-[2-[(1-methylpyrrolidin-2-yl)methoxy]spiro[6,8-dihydro-5H-quinazoline-7,1'-cyclohexane]-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 146389808
4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 117101984
4-(1,4-diazepan-1-yl)-8,8-difluoro-7,9-dihydro-6H-[1]benzothiolo[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 68922996
4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 97188114
4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine
CID 56901571
6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737
2-(4-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66525353

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylspiro[6,8-dihydro-5H-quinazoline-7,1'-cyclohexane]-2-amine?
The IUPAC name of 4-piperazin-1-ylspiro[6,8-dihydro-5H-quinazoline-7,1'-cyclohexane]-2-amine (CID 68561629) is 4-piperazin-1-ylspiro[6,8-dihydro-5H-quinazoline-7,1'-cyclohexane]-2-amine.
What is the SMILES notation for 4-piperazin-1-ylspiro[6,8-dihydro-5H-quinazoline-7,1'-cyclohexane]-2-amine?
The canonical SMILES for 4-piperazin-1-ylspiro[6,8-dihydro-5H-quinazoline-7,1'-cyclohexane]-2-amine is Nc1nc2c(c(N3CCNCC3)n1)CCC1(CCCCC1)C2.
What is the InChIKey of 4-piperazin-1-ylspiro[6,8-dihydro-5H-quinazoline-7,1'-cyclohexane]-2-amine?
The InChIKey is QHHFOBJMDHHKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c18-16-20-14-12-17(5-2-1-3-6-17)7-4-13(14)15(21-16)22-10-8-19-9-11-22/h19H,1-12H2,(H2,18,20,21).
What are the key properties of 4-piperazin-1-ylspiro[6,8-dihydro-5H-quinazoline-7,1'-cyclohexane]-2-amine?
4-piperazin-1-ylspiro[6,8-dihydro-5H-quinazoline-7,1'-cyclohexane]-2-amine has a molecular weight of 301.44 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylspiro[6,8-dihydro-5H-quinazoline-7,1'-cyclohexane]-2-amine is sourced from PubChem (CID 68561629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).