4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine

C15H22N4O — CID 80841877

IUPAC4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NC(COC)C(C)C)c2ccccc2n1
InChIInChI=1S/C15H22N4O/c1-10(2)13(9-20-4)17-14-11-7-5-6-8-12(11)18-15(16-3)19-14/h5-8,10,13H,9H2,1-4H3,(H2,16,17,18,19)
InChIKeyQWYGOYLFNVUSSZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.75
Rot. Bonds6

About 4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine

4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine (PubChem CID 80841877) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine
PubChem CID80841877
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NC(COC)C(C)C)c2ccccc2n1
InChIInChI=1S/C15H22N4O/c1-10(2)13(9-20-4)17-14-11-7-5-6-8-12(11)18-15(16-3)19-14/h5-8,10,13H,9H2,1-4H3,(H2,16,17,18,19)
InChIKeyQWYGOYLFNVUSSZ-UHFFFAOYSA-N
XLogP2.75
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine (CID 80841877) is 4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine is CNc1nc(NC(COC)C(C)C)c2ccccc2n1.
What is the InChIKey of 4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine?
The InChIKey is QWYGOYLFNVUSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(2)13(9-20-4)17-14-11-7-5-6-8-12(11)18-15(16-3)19-14/h5-8,10,13H,9H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine?
4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 80841877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).