4-methoxy-5,6,7,8-tetrahydroquinazoline

C9H12N2O — CID 12933874

IUPAC4-methoxy-5,6,7,8-tetrahydroquinazoline
SMILESCOc1ncnc2c1CCCC2
InChIInChI=1S/C9H12N2O/c1-12-9-7-4-2-3-5-8(7)10-6-11-9/h6H,2-5H2,1H3
InChIKeySWDFTYRJEBLCMG-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.36
Rot. Bonds1

About 4-methoxy-5,6,7,8-tetrahydroquinazoline

4-methoxy-5,6,7,8-tetrahydroquinazoline (PubChem CID 12933874) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-methoxy-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-methoxy-5,6,7,8-tetrahydroquinazoline
PubChem CID12933874
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-methoxy-5,6,7,8-tetrahydroquinazoline
SMILESCOc1ncnc2c1CCCC2
InChIInChI=1S/C9H12N2O/c1-12-9-7-4-2-3-5-8(7)10-6-11-9/h6H,2-5H2,1H3
InChIKeySWDFTYRJEBLCMG-UHFFFAOYSA-N
XLogP1.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-2-(piperazin-1-yl)-5,6,7,8-tetrahydroquinazoline
CID 498210
4-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 50989214
4-(2,2-Difluoroethoxy)-5,6,7,8-tetrahydroquinazoline
CID 126954579
4-Methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 58115651
4-But-2-ynoxy-5-fluoro-6-(3-methylcyclohexyl)pyrimidine
CID 86001386
4-Cyclopropyl-6-(2-fluoroethoxy)-5-methylpyrimidine
CID 148058715
4-Cyclopropyl-6-(difluoromethoxy)-5-methylpyrimidine
CID 148362947
[4-(2-Fluoropropan-2-yl)-6-methoxypyrimidin-5-yl]boronic acid
CID 153621272
5-Tert-butyl-4-cyclopropyl-6-(difluoromethoxy)pyrimidine
CID 156289912
5-Tert-butyl-4-cyclopropyl-6-(2-fluoroethoxy)pyrimidine
CID 156289915
4-Cyclopropyl-6-(difluoromethoxy)-5-ethylpyrimidine
CID 156289996
5-Tert-butyl-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine
CID 156290195

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-methoxy-5,6,7,8-tetrahydroquinazoline (CID 12933874) is 4-methoxy-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-methoxy-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-methoxy-5,6,7,8-tetrahydroquinazoline is COc1ncnc2c1CCCC2.
What is the InChIKey of 4-methoxy-5,6,7,8-tetrahydroquinazoline?
The InChIKey is SWDFTYRJEBLCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-12-9-7-4-2-3-5-8(7)10-6-11-9/h6H,2-5H2,1H3.
What are the key properties of 4-methoxy-5,6,7,8-tetrahydroquinazoline?
4-methoxy-5,6,7,8-tetrahydroquinazoline has a molecular weight of 164.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 12933874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).