4-methoxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine

C13H19N3O — CID 143863506

IUPAC4-methoxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine
SMILESCOc1nc(N)nc2c1CCCC21CCCC1
InChIInChI=1S/C13H19N3O/c1-17-11-9-5-4-8-13(6-2-3-7-13)10(9)15-12(14)16-11/h2-8H2,1H3,(H2,14,15,16)
InChIKeyMPTBQTGNGPXLEP-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.22
Rot. Bonds1

About 4-methoxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine

4-methoxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine (PubChem CID 143863506) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-methoxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine.

Molecular Properties

Compound Name4-methoxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine
PubChem CID143863506
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-methoxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine
SMILESCOc1nc(N)nc2c1CCCC21CCCC1
InChIInChI=1S/C13H19N3O/c1-17-11-9-5-4-8-13(6-2-3-7-13)10(9)15-12(14)16-11/h2-8H2,1H3,(H2,14,15,16)
InChIKeyMPTBQTGNGPXLEP-UHFFFAOYSA-N
XLogP2.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclohexylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine
CID 143863516
4-N-(1-aminobutan-2-yl)-4-N-methylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine
CID 70971210
4-methoxy-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine
CID 105448888
2,4-dimethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 156555750
4-(3-aminoazetidin-1-yl)spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine;piperidine-4-carboxylic acid
CID 159426013
(2-amino-9,9-dibenzyl-5,6,7,8-tetrahydrocyclohepta[d]pyrimidin-4-yl) 4-methylbenzenesulfonate
CID 87626032
4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine
CID 143872889
2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde
CID 11644056
4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]
CID 144594164
2-amino-4-methoxy-6-methylpyrimidine-5-selenol
CID 154295666
5-(aminomethyl)-4-cyclobutyl-6-methoxypyrimidin-2-amine
CID 105461912
6-methoxy-4-N-methylpyrimidine-2,4,5-triamine
CID 89207307

Frequently Asked Questions

What is the IUPAC name of 4-methoxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine?
The IUPAC name of 4-methoxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine (CID 143863506) is 4-methoxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine.
What is the SMILES notation for 4-methoxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine?
The canonical SMILES for 4-methoxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine is COc1nc(N)nc2c1CCCC21CCCC1.
What is the InChIKey of 4-methoxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine?
The InChIKey is MPTBQTGNGPXLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-17-11-9-5-4-8-13(6-2-3-7-13)10(9)15-12(14)16-11/h2-8H2,1H3,(H2,14,15,16).
What are the key properties of 4-methoxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine?
4-methoxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine has a molecular weight of 233.31 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine is sourced from PubChem (CID 143863506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).