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

C12H17N3O — CID 80714080

IUPACN-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESc1nc2c(c(NC3CCOC3)n1)CCCC2
InChIInChI=1S/C12H17N3O/c1-2-4-11-10(3-1)12(14-8-13-11)15-9-5-6-16-7-9/h8-9H,1-7H2,(H,13,14,15)
InChIKeyZFMZLVHZDIQVAC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.56
Rot. Bonds2

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

N-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 80714080) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID80714080
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESc1nc2c(c(NC3CCOC3)n1)CCCC2
InChIInChI=1S/C12H17N3O/c1-2-4-11-10(3-1)12(14-8-13-11)15-9-5-6-16-7-9/h8-9H,1-7H2,(H,13,14,15)
InChIKeyZFMZLVHZDIQVAC-UHFFFAOYSA-N
XLogP1.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 80714080) is N-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is c1nc2c(c(NC3CCOC3)n1)CCCC2.
What is the InChIKey of N-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is ZFMZLVHZDIQVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-4-11-10(3-1)12(14-8-13-11)15-9-5-6-16-7-9/h8-9H,1-7H2,(H,13,14,15).
What are the key properties of N-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 219.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 80714080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).