N-(oxan-3-ylmethyl)quinazolin-2-amine

C14H17N3O — CID 114788931

IUPACN-(oxan-3-ylmethyl)quinazolin-2-amine
SMILESc1ccc2nc(NCC3CCCOC3)ncc2c1
InChIInChI=1S/C14H17N3O/c1-2-6-13-12(5-1)9-16-14(17-13)15-8-11-4-3-7-18-10-11/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,15,16,17)
InChIKeyAHMMDPJFOVZQGY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.47
Rot. Bonds3

About N-(oxan-3-ylmethyl)quinazolin-2-amine

N-(oxan-3-ylmethyl)quinazolin-2-amine (PubChem CID 114788931) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)quinazolin-2-amine
PubChem CID114788931
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(oxan-3-ylmethyl)quinazolin-2-amine
SMILESc1ccc2nc(NCC3CCCOC3)ncc2c1
InChIInChI=1S/C14H17N3O/c1-2-6-13-12(5-1)9-16-14(17-13)15-8-11-4-3-7-18-10-11/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,15,16,17)
InChIKeyAHMMDPJFOVZQGY-UHFFFAOYSA-N
XLogP2.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)quinazolin-2-amine?
The IUPAC name of N-(oxan-3-ylmethyl)quinazolin-2-amine (CID 114788931) is N-(oxan-3-ylmethyl)quinazolin-2-amine.
What is the SMILES notation for N-(oxan-3-ylmethyl)quinazolin-2-amine?
The canonical SMILES for N-(oxan-3-ylmethyl)quinazolin-2-amine is c1ccc2nc(NCC3CCCOC3)ncc2c1.
What is the InChIKey of N-(oxan-3-ylmethyl)quinazolin-2-amine?
The InChIKey is AHMMDPJFOVZQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-6-13-12(5-1)9-16-14(17-13)15-8-11-4-3-7-18-10-11/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,15,16,17).
What are the key properties of N-(oxan-3-ylmethyl)quinazolin-2-amine?
N-(oxan-3-ylmethyl)quinazolin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)quinazolin-2-amine is sourced from PubChem (CID 114788931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).