(4-methyl-1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-yl)methanol

C8H11N3O2 — CID 175812849

IUPAC(4-methyl-1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-yl)methanol
SMILESCC1(CO)OCNc2ncncc21
InChIInChI=1S/C8H11N3O2/c1-8(3-12)6-2-9-4-10-7(6)11-5-13-8/h2,4,12H,3,5H2,1H3,(H,9,10,11)
InChIKeyXULWOAMEGINRLD-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.08
Rot. Bonds1

About (4-methyl-1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-yl)methanol

(4-methyl-1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-yl)methanol (PubChem CID 175812849) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is (4-methyl-1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-yl)methanol.

Molecular Properties

Compound Name(4-methyl-1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-yl)methanol
PubChem CID175812849
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name(4-methyl-1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-yl)methanol
SMILESCC1(CO)OCNc2ncncc21
InChIInChI=1S/C8H11N3O2/c1-8(3-12)6-2-9-4-10-7(6)11-5-13-8/h2,4,12H,3,5H2,1H3,(H,9,10,11)
InChIKeyXULWOAMEGINRLD-UHFFFAOYSA-N
XLogP0.08
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-yl)methanol?
The IUPAC name of (4-methyl-1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-yl)methanol (CID 175812849) is (4-methyl-1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-yl)methanol.
What is the SMILES notation for (4-methyl-1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-yl)methanol?
The canonical SMILES for (4-methyl-1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-yl)methanol is CC1(CO)OCNc2ncncc21.
What is the InChIKey of (4-methyl-1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-yl)methanol?
The InChIKey is XULWOAMEGINRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-8(3-12)6-2-9-4-10-7(6)11-5-13-8/h2,4,12H,3,5H2,1H3,(H,9,10,11).
What are the key properties of (4-methyl-1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-yl)methanol?
(4-methyl-1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-yl)methanol has a molecular weight of 181.19 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,2-dihydropyrimido[4,5-d][1,3]oxazin-4-yl)methanol is sourced from PubChem (CID 175812849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).