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

C11H16N2 — CID 58752884

IUPAC5-propan-2-yl-5,6,7,8-tetrahydroquinazoline
SMILESCC(C)C1CCCc2ncncc21
InChIInChI=1S/C11H16N2/c1-8(2)9-4-3-5-11-10(9)6-12-7-13-11/h6-9H,3-5H2,1-2H3
InChIKeyKMZAHYHFXIKULI-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.55
Rot. Bonds1

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

5-propan-2-yl-5,6,7,8-tetrahydroquinazoline (PubChem CID 58752884) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-propan-2-yl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name5-propan-2-yl-5,6,7,8-tetrahydroquinazoline
PubChem CID58752884
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name5-propan-2-yl-5,6,7,8-tetrahydroquinazoline
SMILESCC(C)C1CCCc2ncncc21
InChIInChI=1S/C11H16N2/c1-8(2)9-4-3-5-11-10(9)6-12-7-13-11/h6-9H,3-5H2,1-2H3
InChIKeyKMZAHYHFXIKULI-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009294
8-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-4-amine
CID 177216962
7-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 58752904
6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 170260134
(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 162494432
7-propan-2-yl-5,6,7,8-tetrahydroquinazoline
CID 153295607
methyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylate
CID 119053655
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 121183361
5-propan-2-yl-6,7-dihydropyrrolo[3,2-d]pyrimidine
CID 138607465
6-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 59559014

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 5-propan-2-yl-5,6,7,8-tetrahydroquinazoline (CID 58752884) is 5-propan-2-yl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 5-propan-2-yl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 5-propan-2-yl-5,6,7,8-tetrahydroquinazoline is CC(C)C1CCCc2ncncc21.
What is the InChIKey of 5-propan-2-yl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is KMZAHYHFXIKULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)9-4-3-5-11-10(9)6-12-7-13-11/h6-9H,3-5H2,1-2H3.
What are the key properties of 5-propan-2-yl-5,6,7,8-tetrahydroquinazoline?
5-propan-2-yl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 176.26 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 58752884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).