5-[4-amino-7-(2-methylpropyl)-6,7-dihydropyrrolo[3,2-d]pyrimidin-5-yl]-1,3-benzoxazol-2-amine

C17H20N6O — CID 142608609

IUPAC5-[4-amino-7-(2-methylpropyl)-6,7-dihydropyrrolo[3,2-d]pyrimidin-5-yl]-1,3-benzoxazol-2-amine
SMILESCC(C)CC1CN(c2ccc3oc(N)nc3c2)c2c(N)ncnc21
InChIInChI=1S/C17H20N6O/c1-9(2)5-10-7-23(15-14(10)20-8-21-16(15)18)11-3-4-13-12(6-11)22-17(19)24-13/h3-4,6,8-10H,5,7H2,1-2H3,(H2,19,22)(H2,18,20,21)
InChIKeyUUWNQXUHQXRBNH-UHFFFAOYSA-N
MW324.39 g/mol
LogP3.06
Rot. Bonds3

About 5-[4-amino-7-(2-methylpropyl)-6,7-dihydropyrrolo[3,2-d]pyrimidin-5-yl]-1,3-benzoxazol-2-amine

5-[4-amino-7-(2-methylpropyl)-6,7-dihydropyrrolo[3,2-d]pyrimidin-5-yl]-1,3-benzoxazol-2-amine (PubChem CID 142608609) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 5-[4-amino-7-(2-methylpropyl)-6,7-dihydropyrrolo[3,2-d]pyrimidin-5-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[4-amino-7-(2-methylpropyl)-6,7-dihydropyrrolo[3,2-d]pyrimidin-5-yl]-1,3-benzoxazol-2-amine
PubChem CID142608609
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name5-[4-amino-7-(2-methylpropyl)-6,7-dihydropyrrolo[3,2-d]pyrimidin-5-yl]-1,3-benzoxazol-2-amine
SMILESCC(C)CC1CN(c2ccc3oc(N)nc3c2)c2c(N)ncnc21
InChIInChI=1S/C17H20N6O/c1-9(2)5-10-7-23(15-14(10)20-8-21-16(15)18)11-3-4-13-12(6-11)22-17(19)24-13/h3-4,6,8-10H,5,7H2,1-2H3,(H2,19,22)(H2,18,20,21)
InChIKeyUUWNQXUHQXRBNH-UHFFFAOYSA-N
XLogP3.06
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-7-(2-methylpropyl)-6,7-dihydropyrrolo[3,2-d]pyrimidin-5-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[4-amino-7-(2-methylpropyl)-6,7-dihydropyrrolo[3,2-d]pyrimidin-5-yl]-1,3-benzoxazol-2-amine (CID 142608609) is 5-[4-amino-7-(2-methylpropyl)-6,7-dihydropyrrolo[3,2-d]pyrimidin-5-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[4-amino-7-(2-methylpropyl)-6,7-dihydropyrrolo[3,2-d]pyrimidin-5-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[4-amino-7-(2-methylpropyl)-6,7-dihydropyrrolo[3,2-d]pyrimidin-5-yl]-1,3-benzoxazol-2-amine is CC(C)CC1CN(c2ccc3oc(N)nc3c2)c2c(N)ncnc21.
What is the InChIKey of 5-[4-amino-7-(2-methylpropyl)-6,7-dihydropyrrolo[3,2-d]pyrimidin-5-yl]-1,3-benzoxazol-2-amine?
The InChIKey is UUWNQXUHQXRBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-9(2)5-10-7-23(15-14(10)20-8-21-16(15)18)11-3-4-13-12(6-11)22-17(19)24-13/h3-4,6,8-10H,5,7H2,1-2H3,(H2,19,22)(H2,18,20,21).
What are the key properties of 5-[4-amino-7-(2-methylpropyl)-6,7-dihydropyrrolo[3,2-d]pyrimidin-5-yl]-1,3-benzoxazol-2-amine?
5-[4-amino-7-(2-methylpropyl)-6,7-dihydropyrrolo[3,2-d]pyrimidin-5-yl]-1,3-benzoxazol-2-amine has a molecular weight of 324.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-7-(2-methylpropyl)-6,7-dihydropyrrolo[3,2-d]pyrimidin-5-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 142608609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).