[(4aS,6R)-4-(2-amino-6-methylpyrimidin-4-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol

C13H20N4O2 — CID 154820527

IUPAC[(4aS,6R)-4-(2-amino-6-methylpyrimidin-4-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol
SMILESCc1cc(N2CCOC3C[C@H](CO)C[C@@H]32)nc(N)n1
InChIInChI=1S/C13H20N4O2/c1-8-4-12(16-13(14)15-8)17-2-3-19-11-6-9(7-18)5-10(11)17/h4,9-11,18H,2-3,5-7H2,1H3,(H2,14,15,16)/t9-,10+,11?/m1/s1
InChIKeyUOEDHJPLEGQCKC-JKIOLJMWSA-N
MW264.33 g/mol
LogP0.34
Rot. Bonds2

About [(4aS,6R)-4-(2-amino-6-methylpyrimidin-4-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol

[(4aS,6R)-4-(2-amino-6-methylpyrimidin-4-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol (PubChem CID 154820527) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [(4aS,6R)-4-(2-amino-6-methylpyrimidin-4-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol.

Molecular Properties

Compound Name[(4aS,6R)-4-(2-amino-6-methylpyrimidin-4-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol
PubChem CID154820527
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[(4aS,6R)-4-(2-amino-6-methylpyrimidin-4-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol
SMILESCc1cc(N2CCOC3C[C@H](CO)C[C@@H]32)nc(N)n1
InChIInChI=1S/C13H20N4O2/c1-8-4-12(16-13(14)15-8)17-2-3-19-11-6-9(7-18)5-10(11)17/h4,9-11,18H,2-3,5-7H2,1H3,(H2,14,15,16)/t9-,10+,11?/m1/s1
InChIKeyUOEDHJPLEGQCKC-JKIOLJMWSA-N
XLogP0.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(4aS,6R)-4-(2-amino-6-methylpyrimidin-4-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aS,6R)-4-(2-amino-6-methylpyrimidin-4-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol?
The IUPAC name of [(4aS,6R)-4-(2-amino-6-methylpyrimidin-4-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol (CID 154820527) is [(4aS,6R)-4-(2-amino-6-methylpyrimidin-4-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol.
What is the SMILES notation for [(4aS,6R)-4-(2-amino-6-methylpyrimidin-4-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol?
The canonical SMILES for [(4aS,6R)-4-(2-amino-6-methylpyrimidin-4-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol is Cc1cc(N2CCOC3C[C@H](CO)C[C@@H]32)nc(N)n1.
What is the InChIKey of [(4aS,6R)-4-(2-amino-6-methylpyrimidin-4-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol?
The InChIKey is UOEDHJPLEGQCKC-JKIOLJMWSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8-4-12(16-13(14)15-8)17-2-3-19-11-6-9(7-18)5-10(11)17/h4,9-11,18H,2-3,5-7H2,1H3,(H2,14,15,16)/t9-,10+,11?/m1/s1.
What are the key properties of [(4aS,6R)-4-(2-amino-6-methylpyrimidin-4-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol?
[(4aS,6R)-4-(2-amino-6-methylpyrimidin-4-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol has a molecular weight of 264.33 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,6R)-4-(2-amino-6-methylpyrimidin-4-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol is sourced from PubChem (CID 154820527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).