2-methyl-N-(3-methyloxolan-3-yl)quinazolin-4-amine

C14H17N3O — CID 118418826

IUPAC2-methyl-N-(3-methyloxolan-3-yl)quinazolin-4-amine
SMILESCc1nc(NC2(C)CCOC2)c2ccccc2n1
InChIInChI=1S/C14H17N3O/c1-10-15-12-6-4-3-5-11(12)13(16-10)17-14(2)7-8-18-9-14/h3-6H,7-9H2,1-2H3,(H,15,16,17)
InChIKeyDCAXGYOZXUCXDV-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.53
Rot. Bonds2

About 2-methyl-N-(3-methyloxolan-3-yl)quinazolin-4-amine

2-methyl-N-(3-methyloxolan-3-yl)quinazolin-4-amine (PubChem CID 118418826) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-N-(3-methyloxolan-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methyloxolan-3-yl)quinazolin-4-amine
PubChem CID118418826
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-methyl-N-(3-methyloxolan-3-yl)quinazolin-4-amine
SMILESCc1nc(NC2(C)CCOC2)c2ccccc2n1
InChIInChI=1S/C14H17N3O/c1-10-15-12-6-4-3-5-11(12)13(16-10)17-14(2)7-8-18-9-14/h3-6H,7-9H2,1-2H3,(H,15,16,17)
InChIKeyDCAXGYOZXUCXDV-UHFFFAOYSA-N
XLogP2.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyloxolan-3-yl)quinazolin-4-amine?
The IUPAC name of 2-methyl-N-(3-methyloxolan-3-yl)quinazolin-4-amine (CID 118418826) is 2-methyl-N-(3-methyloxolan-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-methyl-N-(3-methyloxolan-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-methyl-N-(3-methyloxolan-3-yl)quinazolin-4-amine is Cc1nc(NC2(C)CCOC2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-(3-methyloxolan-3-yl)quinazolin-4-amine?
The InChIKey is DCAXGYOZXUCXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-15-12-6-4-3-5-11(12)13(16-10)17-14(2)7-8-18-9-14/h3-6H,7-9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-methyl-N-(3-methyloxolan-3-yl)quinazolin-4-amine?
2-methyl-N-(3-methyloxolan-3-yl)quinazolin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyloxolan-3-yl)quinazolin-4-amine is sourced from PubChem (CID 118418826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).