(5-hydroxy-2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-methylborinic acid

C6H13BN2O2 — CID 20619301

IUPAC(5-hydroxy-2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-methylborinic acid
SMILESCB(O)N1CC(O)CN=C1C
InChIInChI=1S/C6H13BN2O2/c1-5-8-3-6(10)4-9(5)7(2)11/h6,10-11H,3-4H2,1-2H3
InChIKeyJWIUPOGMVBETMU-UHFFFAOYSA-N
MW155.99 g/mol
LogP-0.81
Rot. Bonds1

About (5-hydroxy-2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-methylborinic acid

(5-hydroxy-2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-methylborinic acid (PubChem CID 20619301) has the molecular formula C6H13BN2O2 and a molecular weight of 155.99 g/mol. Its IUPAC name is (5-hydroxy-2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-methylborinic acid.

Molecular Properties

Compound Name(5-hydroxy-2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-methylborinic acid
PubChem CID20619301
Molecular FormulaC6H13BN2O2
Molecular Weight155.99 g/mol
Exact Mass156.11
IUPAC Name(5-hydroxy-2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-methylborinic acid
SMILESCB(O)N1CC(O)CN=C1C
InChIInChI=1S/C6H13BN2O2/c1-5-8-3-6(10)4-9(5)7(2)11/h6,10-11H,3-4H2,1-2H3
InChIKeyJWIUPOGMVBETMU-UHFFFAOYSA-N
XLogP-0.81
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.99
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3,4-dihydro-2H-pyrrol-3-ol
CID 175914585
3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-ol
CID 3254285
(3-hydroxy-5-methylpiperidin-1-yl)-methylborinic acid
CID 18713006
6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-ol
CID 45083155
2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol
CID 164647883
4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79237900
(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123110
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 129488572
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
CID 110912836
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol
CID 62916778
1-(4,5-dimethyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one
CID 168702622
(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 167833801

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-methylborinic acid?
The IUPAC name of (5-hydroxy-2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-methylborinic acid (CID 20619301) is (5-hydroxy-2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-methylborinic acid.
What is the SMILES notation for (5-hydroxy-2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-methylborinic acid?
The canonical SMILES for (5-hydroxy-2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-methylborinic acid is CB(O)N1CC(O)CN=C1C.
What is the InChIKey of (5-hydroxy-2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-methylborinic acid?
The InChIKey is JWIUPOGMVBETMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BN2O2/c1-5-8-3-6(10)4-9(5)7(2)11/h6,10-11H,3-4H2,1-2H3.
What are the key properties of (5-hydroxy-2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-methylborinic acid?
(5-hydroxy-2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-methylborinic acid has a molecular weight of 155.99 g/mol, XLogP of -0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-methylborinic acid is sourced from PubChem (CID 20619301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).