7-propan-2-yl-5,6,7,8-tetrahydroquinazoline

C11H16N2 — CID 153295607

IUPAC7-propan-2-yl-5,6,7,8-tetrahydroquinazoline
SMILESCC(C)C1CCc2cncnc2C1
InChIInChI=1S/C11H16N2/c1-8(2)9-3-4-10-6-12-7-13-11(10)5-9/h6-9H,3-5H2,1-2H3
InChIKeyCLRWHFXSLXOFNZ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.24
Rot. Bonds1

About 7-propan-2-yl-5,6,7,8-tetrahydroquinazoline

7-propan-2-yl-5,6,7,8-tetrahydroquinazoline (PubChem CID 153295607) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 7-propan-2-yl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name7-propan-2-yl-5,6,7,8-tetrahydroquinazoline
PubChem CID153295607
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name7-propan-2-yl-5,6,7,8-tetrahydroquinazoline
SMILESCC(C)C1CCc2cncnc2C1
InChIInChI=1S/C11H16N2/c1-8(2)9-3-4-10-6-12-7-13-11(10)5-9/h6-9H,3-5H2,1-2H3
InChIKeyCLRWHFXSLXOFNZ-UHFFFAOYSA-N
XLogP2.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 58752904
5,6,7,8-tetrahydroquinazoline-7-carboxylic acid
CID 83816750
6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 170260134
3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline
CID 82113977
(9aS)-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinazoline
CID 89116853
7-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydroquinazoline
CID 139483250
5-propan-2-yl-5,6,7,8-tetrahydroquinazoline
CID 58752884
ethane;2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 142915182
(5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 118699358
5-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 146635336
5-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole
CID 59096628
N-(4-propan-2-ylcyclohexyl)pyrimidin-5-amine
CID 107588222

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 7-propan-2-yl-5,6,7,8-tetrahydroquinazoline (CID 153295607) is 7-propan-2-yl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 7-propan-2-yl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 7-propan-2-yl-5,6,7,8-tetrahydroquinazoline is CC(C)C1CCc2cncnc2C1.
What is the InChIKey of 7-propan-2-yl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is CLRWHFXSLXOFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)9-3-4-10-6-12-7-13-11(10)5-9/h6-9H,3-5H2,1-2H3.
What are the key properties of 7-propan-2-yl-5,6,7,8-tetrahydroquinazoline?
7-propan-2-yl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 176.26 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 153295607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).