2-(oxolan-2-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine

C16H25N3O — CID 62190610

IUPAC2-(oxolan-2-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCNc1nc(CC2CCCO2)nc2c1CCCC2
InChIInChI=1S/C16H25N3O/c1-2-9-17-16-13-7-3-4-8-14(13)18-15(19-16)11-12-6-5-10-20-12/h12H,2-11H2,1H3,(H,17,18,19)
InChIKeyGTVBFQBIVRFPMQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.90
Rot. Bonds5

About 2-(oxolan-2-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-(oxolan-2-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 62190610) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID62190610
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(oxolan-2-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCNc1nc(CC2CCCO2)nc2c1CCCC2
InChIInChI=1S/C16H25N3O/c1-2-9-17-16-13-7-3-4-8-14(13)18-15(19-16)11-12-6-5-10-20-12/h12H,2-11H2,1H3,(H,17,18,19)
InChIKeyGTVBFQBIVRFPMQ-UHFFFAOYSA-N
XLogP2.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(oxolan-2-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 62190610) is 2-(oxolan-2-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine is CCCNc1nc(CC2CCCO2)nc2c1CCCC2.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is GTVBFQBIVRFPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-9-17-16-13-7-3-4-8-14(13)18-15(19-16)11-12-6-5-10-20-12/h12H,2-11H2,1H3,(H,17,18,19).
What are the key properties of 2-(oxolan-2-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(oxolan-2-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 62190610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).