4-(cyclopropylmethoxy)quinazolin-2-amine

C12H13N3O — CID 80866857

IUPAC4-(cyclopropylmethoxy)quinazolin-2-amine
SMILESNc1nc(OCC2CC2)c2ccccc2n1
InChIInChI=1S/C12H13N3O/c13-12-14-10-4-2-1-3-9(10)11(15-12)16-7-8-5-6-8/h1-4,8H,5-7H2,(H2,13,14,15)
InChIKeyFFWRTAZUVVMDOI-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.00
Rot. Bonds3

About 4-(cyclopropylmethoxy)quinazolin-2-amine

4-(cyclopropylmethoxy)quinazolin-2-amine (PubChem CID 80866857) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)quinazolin-2-amine.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)quinazolin-2-amine
PubChem CID80866857
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-(cyclopropylmethoxy)quinazolin-2-amine
SMILESNc1nc(OCC2CC2)c2ccccc2n1
InChIInChI=1S/C12H13N3O/c13-12-14-10-4-2-1-3-9(10)11(15-12)16-7-8-5-6-8/h1-4,8H,5-7H2,(H2,13,14,15)
InChIKeyFFWRTAZUVVMDOI-UHFFFAOYSA-N
XLogP2.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)quinazolin-2-amine?
The IUPAC name of 4-(cyclopropylmethoxy)quinazolin-2-amine (CID 80866857) is 4-(cyclopropylmethoxy)quinazolin-2-amine.
What is the SMILES notation for 4-(cyclopropylmethoxy)quinazolin-2-amine?
The canonical SMILES for 4-(cyclopropylmethoxy)quinazolin-2-amine is Nc1nc(OCC2CC2)c2ccccc2n1.
What is the InChIKey of 4-(cyclopropylmethoxy)quinazolin-2-amine?
The InChIKey is FFWRTAZUVVMDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12-14-10-4-2-1-3-9(10)11(15-12)16-7-8-5-6-8/h1-4,8H,5-7H2,(H2,13,14,15).
What are the key properties of 4-(cyclopropylmethoxy)quinazolin-2-amine?
4-(cyclopropylmethoxy)quinazolin-2-amine has a molecular weight of 215.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)quinazolin-2-amine is sourced from PubChem (CID 80866857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).