2-(3-methylfuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine

C16H21N3O — CID 104806519

IUPAC2-(3-methylfuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCCNC1CCCc2nc(-c3occc3C)ncc21
InChIInChI=1S/C16H21N3O/c1-3-8-17-13-5-4-6-14-12(13)10-18-16(19-14)15-11(2)7-9-20-15/h7,9-10,13,17H,3-6,8H2,1-2H3
InChIKeyQNOFUIMTQXSMPE-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.42
Rot. Bonds4

About 2-(3-methylfuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine

2-(3-methylfuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 104806519) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(3-methylfuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(3-methylfuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID104806519
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(3-methylfuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCCNC1CCCc2nc(-c3occc3C)ncc21
InChIInChI=1S/C16H21N3O/c1-3-8-17-13-5-4-6-14-12(13)10-18-16(19-14)15-11(2)7-9-20-15/h7,9-10,13,17H,3-6,8H2,1-2H3
InChIKeyQNOFUIMTQXSMPE-UHFFFAOYSA-N
XLogP3.42
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylfuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(3-methylfuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 104806519) is 2-(3-methylfuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(3-methylfuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(3-methylfuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine is CCCNC1CCCc2nc(-c3occc3C)ncc21.
What is the InChIKey of 2-(3-methylfuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is QNOFUIMTQXSMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-8-17-13-5-4-6-14-12(13)10-18-16(19-14)15-11(2)7-9-20-15/h7,9-10,13,17H,3-6,8H2,1-2H3.
What are the key properties of 2-(3-methylfuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(3-methylfuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 271.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylfuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 104806519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).