6-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-3-methyl-1,4-dihydroquinazolin-2-one

C19H22N6O — CID 138535695

IUPAC6-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(-c3nc4cnccn4c3NC(C)(C)C)ccc2NC1=O
InChIInChI=1S/C19H22N6O/c1-19(2,3)23-17-16(22-15-10-20-7-8-25(15)17)12-5-6-14-13(9-12)11-24(4)18(26)21-14/h5-10,23H,11H2,1-4H3,(H,21,26)
InChIKeyPHKZWPFOKBDCST-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.58
Rot. Bonds2

About 6-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-3-methyl-1,4-dihydroquinazolin-2-one

6-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 138535695) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 6-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID138535695
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name6-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(-c3nc4cnccn4c3NC(C)(C)C)ccc2NC1=O
InChIInChI=1S/C19H22N6O/c1-19(2,3)23-17-16(22-15-10-20-7-8-25(15)17)12-5-6-14-13(9-12)11-24(4)18(26)21-14/h5-10,23H,11H2,1-4H3,(H,21,26)
InChIKeyPHKZWPFOKBDCST-UHFFFAOYSA-N
XLogP3.58
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-3-methyl-1,4-dihydroquinazolin-2-one (CID 138535695) is 6-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2cc(-c3nc4cnccn4c3NC(C)(C)C)ccc2NC1=O.
What is the InChIKey of 6-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is PHKZWPFOKBDCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-19(2,3)23-17-16(22-15-10-20-7-8-25(15)17)12-5-6-14-13(9-12)11-24(4)18(26)21-14/h5-10,23H,11H2,1-4H3,(H,21,26).
What are the key properties of 6-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-3-methyl-1,4-dihydroquinazolin-2-one?
6-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 350.43 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 138535695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).