5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-methylpyrimidin-2-amine

C19H24N8O2 — CID 57384862

IUPAC5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-methylpyrimidin-2-amine
SMILESCc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc3n(c2n1)CCOC3(C)C
InChIInChI=1S/C19H24N8O2/c1-11-12(10-21-18(20)22-11)14-24-15(26-4-7-28-8-5-26)13-16(25-14)27-6-9-29-19(2,3)17(27)23-13/h10H,4-9H2,1-3H3,(H2,20,21,22)
InChIKeyBOVRFNAULGLSIP-UHFFFAOYSA-N
MW396.46 g/mol
LogP1.28
Rot. Bonds2

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

5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-methylpyrimidin-2-amine (PubChem CID 57384862) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-methylpyrimidin-2-amine
PubChem CID57384862
Molecular FormulaC19H24N8O2
Molecular Weight396.46 g/mol
Exact Mass396.20
IUPAC Name5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-methylpyrimidin-2-amine
SMILESCc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc3n(c2n1)CCOC3(C)C
InChIInChI=1S/C19H24N8O2/c1-11-12(10-21-18(20)22-11)14-24-15(26-4-7-28-8-5-26)13-16(25-14)27-6-9-29-19(2,3)17(27)23-13/h10H,4-9H2,1-3H3,(H2,20,21,22)
InChIKeyBOVRFNAULGLSIP-UHFFFAOYSA-N
XLogP1.28
TPSA117.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-methylpyrimidin-2-amine?
The IUPAC name of 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-methylpyrimidin-2-amine (CID 57384862) is 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-methylpyrimidin-2-amine is Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc3n(c2n1)CCOC3(C)C.
What is the InChIKey of 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-methylpyrimidin-2-amine?
The InChIKey is BOVRFNAULGLSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2/c1-11-12(10-21-18(20)22-11)14-24-15(26-4-7-28-8-5-26)13-16(25-14)27-6-9-29-19(2,3)17(27)23-13/h10H,4-9H2,1-3H3,(H2,20,21,22).
What are the key properties of 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-methylpyrimidin-2-amine?
5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-methylpyrimidin-2-amine has a molecular weight of 396.46 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 57384862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).