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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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).