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

C17H21N5O — CID 121255746

IUPAC2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
SMILESCNc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12
InChIInChI=1S/C17H21N5O/c1-10(2)6-13(18)17-21-14-5-4-11(15-8-20-9-23-15)7-12(14)16(19-3)22-17/h4-5,7-10,13H,6,18H2,1-3H3,(H,19,21,22)
InChIKeyNSPKPNREOGGNTO-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.37
Rot. Bonds5

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

2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine (PubChem CID 121255746) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
PubChem CID121255746
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
SMILESCNc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12
InChIInChI=1S/C17H21N5O/c1-10(2)6-13(18)17-21-14-5-4-11(15-8-20-9-23-15)7-12(14)16(19-3)22-17/h4-5,7-10,13H,6,18H2,1-3H3,(H,19,21,22)
InChIKeyNSPKPNREOGGNTO-UHFFFAOYSA-N
XLogP3.37
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine?
The IUPAC name of 2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine (CID 121255746) is 2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine?
The canonical SMILES for 2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine is CNc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12.
What is the InChIKey of 2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine?
The InChIKey is NSPKPNREOGGNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-10(2)6-13(18)17-21-14-5-4-11(15-8-20-9-23-15)7-12(14)16(19-3)22-17/h4-5,7-10,13H,6,18H2,1-3H3,(H,19,21,22).
What are the key properties of 2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine?
2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine has a molecular weight of 311.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 121255746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).