2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine

C18H23N5O — CID 121255769

IUPAC2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
SMILESCC(C)CC(N)c1nc(N(C)C)c2cc(-c3cnco3)ccc2n1
InChIInChI=1S/C18H23N5O/c1-11(2)7-14(19)17-21-15-6-5-12(16-9-20-10-24-16)8-13(15)18(22-17)23(3)4/h5-6,8-11,14H,7,19H2,1-4H3
InChIKeyMGGPDAKRDSZZFK-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.40
Rot. Bonds5

About 2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine

2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine (PubChem CID 121255769) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
PubChem CID121255769
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
SMILESCC(C)CC(N)c1nc(N(C)C)c2cc(-c3cnco3)ccc2n1
InChIInChI=1S/C18H23N5O/c1-11(2)7-14(19)17-21-15-6-5-12(16-9-20-10-24-16)8-13(15)18(22-17)23(3)4/h5-6,8-11,14H,7,19H2,1-4H3
InChIKeyMGGPDAKRDSZZFK-UHFFFAOYSA-N
XLogP3.40
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine?
The IUPAC name of 2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine (CID 121255769) is 2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine?
The canonical SMILES for 2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine is CC(C)CC(N)c1nc(N(C)C)c2cc(-c3cnco3)ccc2n1.
What is the InChIKey of 2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine?
The InChIKey is MGGPDAKRDSZZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-11(2)7-14(19)17-21-15-6-5-12(16-9-20-10-24-16)8-13(15)18(22-17)23(3)4/h5-6,8-11,14H,7,19H2,1-4H3.
What are the key properties of 2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine?
2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine has a molecular weight of 325.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 121255769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).