2-(oxolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine

C15H23N3O — CID 62314720

IUPAC2-(oxolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCNc1nc(C2CCOC2)nc2c1CCCC2
InChIInChI=1S/C15H23N3O/c1-2-8-16-15-12-5-3-4-6-13(12)17-14(18-15)11-7-9-19-10-11/h11H,2-10H2,1H3,(H,16,17,18)
InChIKeyHCQYZFIUDCCVLS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.68
Rot. Bonds4

About 2-(oxolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-(oxolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 62314720) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(oxolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID62314720
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(oxolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCNc1nc(C2CCOC2)nc2c1CCCC2
InChIInChI=1S/C15H23N3O/c1-2-8-16-15-12-5-3-4-6-13(12)17-14(18-15)11-7-9-19-10-11/h11H,2-10H2,1H3,(H,16,17,18)
InChIKeyHCQYZFIUDCCVLS-UHFFFAOYSA-N
XLogP2.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(oxolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 62314720) is 2-(oxolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(oxolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(oxolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine is CCCNc1nc(C2CCOC2)nc2c1CCCC2.
What is the InChIKey of 2-(oxolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is HCQYZFIUDCCVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-8-16-15-12-5-3-4-6-13(12)17-14(18-15)11-7-9-19-10-11/h11H,2-10H2,1H3,(H,16,17,18).
What are the key properties of 2-(oxolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(oxolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 62314720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).