4-(oxolan-3-ylmethoxy)quinazolin-2-amine

C13H15N3O2 — CID 80873939

IUPAC4-(oxolan-3-ylmethoxy)quinazolin-2-amine
SMILESNc1nc(OCC2CCOC2)c2ccccc2n1
InChIInChI=1S/C13H15N3O2/c14-13-15-11-4-2-1-3-10(11)12(16-13)18-8-9-5-6-17-7-9/h1-4,9H,5-8H2,(H2,14,15,16)
InChIKeyJXLPYPWEWYORKT-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.63
Rot. Bonds3

About 4-(oxolan-3-ylmethoxy)quinazolin-2-amine

4-(oxolan-3-ylmethoxy)quinazolin-2-amine (PubChem CID 80873939) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(oxolan-3-ylmethoxy)quinazolin-2-amine.

Molecular Properties

Compound Name4-(oxolan-3-ylmethoxy)quinazolin-2-amine
PubChem CID80873939
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(oxolan-3-ylmethoxy)quinazolin-2-amine
SMILESNc1nc(OCC2CCOC2)c2ccccc2n1
InChIInChI=1S/C13H15N3O2/c14-13-15-11-4-2-1-3-10(11)12(16-13)18-8-9-5-6-17-7-9/h1-4,9H,5-8H2,(H2,14,15,16)
InChIKeyJXLPYPWEWYORKT-UHFFFAOYSA-N
XLogP1.63
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(oxan-4-ylmethoxy)quinazolin-2-amine
CID 80880152
4-(cyclopropylmethoxy)quinazolin-2-amine
CID 80866857
4-(oxolan-3-yloxy)quinazolin-2-amine
CID 80876588
6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine
CID 24958396
4-cyclobutyloxyquinazolin-2-amine
CID 80873380
N-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine
CID 63377053
4-(oxolan-3-ylmethoxy)pyrimidin-2-amine
CID 68633908
1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 118058563
2-(2-aminoquinazolin-4-yl)oxyethanol
CID 80859584
3-N-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyridine-2,3-diamine
CID 123552648
6-bromo-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline
CID 118058555
oxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate
CID 61237122

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-ylmethoxy)quinazolin-2-amine?
The IUPAC name of 4-(oxolan-3-ylmethoxy)quinazolin-2-amine (CID 80873939) is 4-(oxolan-3-ylmethoxy)quinazolin-2-amine.
What is the SMILES notation for 4-(oxolan-3-ylmethoxy)quinazolin-2-amine?
The canonical SMILES for 4-(oxolan-3-ylmethoxy)quinazolin-2-amine is Nc1nc(OCC2CCOC2)c2ccccc2n1.
What is the InChIKey of 4-(oxolan-3-ylmethoxy)quinazolin-2-amine?
The InChIKey is JXLPYPWEWYORKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-13-15-11-4-2-1-3-10(11)12(16-13)18-8-9-5-6-17-7-9/h1-4,9H,5-8H2,(H2,14,15,16).
What are the key properties of 4-(oxolan-3-ylmethoxy)quinazolin-2-amine?
4-(oxolan-3-ylmethoxy)quinazolin-2-amine has a molecular weight of 245.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-ylmethoxy)quinazolin-2-amine is sourced from PubChem (CID 80873939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).