2-amino-5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyridine-3-carbonitrile

C19H19N7O — CID 122517556

IUPAC2-amino-5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyridine-3-carbonitrile
SMILESCC1(C)OCCn2c1nc1c(C3CC3)nc(-c3cnc(N)c(C#N)c3)nc12
InChIInChI=1S/C19H19N7O/c1-19(2)18-24-14-13(10-3-4-10)23-16(25-17(14)26(18)5-6-27-19)12-7-11(8-20)15(21)22-9-12/h7,9-10H,3-6H2,1-2H3,(H2,21,22)
InChIKeyLZIDZKAPYXYGJI-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.48
Rot. Bonds2

About 2-amino-5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyridine-3-carbonitrile

2-amino-5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyridine-3-carbonitrile (PubChem CID 122517556) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-amino-5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyridine-3-carbonitrile
PubChem CID122517556
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name2-amino-5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyridine-3-carbonitrile
SMILESCC1(C)OCCn2c1nc1c(C3CC3)nc(-c3cnc(N)c(C#N)c3)nc12
InChIInChI=1S/C19H19N7O/c1-19(2)18-24-14-13(10-3-4-10)23-16(25-17(14)26(18)5-6-27-19)12-7-11(8-20)15(21)22-9-12/h7,9-10H,3-6H2,1-2H3,(H2,21,22)
InChIKeyLZIDZKAPYXYGJI-UHFFFAOYSA-N
XLogP2.48
TPSA115.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyridine-3-carbonitrile (CID 122517556) is 2-amino-5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyridine-3-carbonitrile is CC1(C)OCCn2c1nc1c(C3CC3)nc(-c3cnc(N)c(C#N)c3)nc12.
What is the InChIKey of 2-amino-5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyridine-3-carbonitrile?
The InChIKey is LZIDZKAPYXYGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-19(2)18-24-14-13(10-3-4-10)23-16(25-17(14)26(18)5-6-27-19)12-7-11(8-20)15(21)22-9-12/h7,9-10H,3-6H2,1-2H3,(H2,21,22).
What are the key properties of 2-amino-5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyridine-3-carbonitrile?
2-amino-5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyridine-3-carbonitrile has a molecular weight of 361.41 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 122517556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).