2-(2-aminopyrimidin-5-yl)-N-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine

C17H20N8O — CID 122536052

IUPAC2-(2-aminopyrimidin-5-yl)-N-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine
SMILESCC1(C)OCCn2c1nc1c(NC3CC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C17H20N8O/c1-17(2)15-22-11-13(21-10-3-4-10)23-12(9-7-19-16(18)20-8-9)24-14(11)25(15)5-6-26-17/h7-8,10H,3-6H2,1-2H3,(H2,18,19,20)(H,21,23,24)
InChIKeyWGXGPDPHUFRFFL-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.71
Rot. Bonds3

About 2-(2-aminopyrimidin-5-yl)-N-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine

2-(2-aminopyrimidin-5-yl)-N-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine (PubChem CID 122536052) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-5-yl)-N-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine.

Molecular Properties

Compound Name2-(2-aminopyrimidin-5-yl)-N-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine
PubChem CID122536052
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name2-(2-aminopyrimidin-5-yl)-N-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine
SMILESCC1(C)OCCn2c1nc1c(NC3CC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C17H20N8O/c1-17(2)15-22-11-13(21-10-3-4-10)23-12(9-7-19-16(18)20-8-9)24-14(11)25(15)5-6-26-17/h7-8,10H,3-6H2,1-2H3,(H2,18,19,20)(H,21,23,24)
InChIKeyWGXGPDPHUFRFFL-UHFFFAOYSA-N
XLogP1.71
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-5-yl)-N-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine?
The IUPAC name of 2-(2-aminopyrimidin-5-yl)-N-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine (CID 122536052) is 2-(2-aminopyrimidin-5-yl)-N-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine.
What is the SMILES notation for 2-(2-aminopyrimidin-5-yl)-N-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine?
The canonical SMILES for 2-(2-aminopyrimidin-5-yl)-N-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine is CC1(C)OCCn2c1nc1c(NC3CC3)nc(-c3cnc(N)nc3)nc12.
What is the InChIKey of 2-(2-aminopyrimidin-5-yl)-N-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine?
The InChIKey is WGXGPDPHUFRFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-17(2)15-22-11-13(21-10-3-4-10)23-12(9-7-19-16(18)20-8-9)24-14(11)25(15)5-6-26-17/h7-8,10H,3-6H2,1-2H3,(H2,18,19,20)(H,21,23,24).
What are the key properties of 2-(2-aminopyrimidin-5-yl)-N-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine?
2-(2-aminopyrimidin-5-yl)-N-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine has a molecular weight of 352.40 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-5-yl)-N-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine is sourced from PubChem (CID 122536052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).