1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-ol

C10H15FN2O3 — CID 16732577

IUPAC1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-ol
SMILESCOc1cc(CC(C)(O)CF)nc(OC)n1
InChIInChI=1S/C10H15FN2O3/c1-10(14,6-11)5-7-4-8(15-2)13-9(12-7)16-3/h4,14H,5-6H2,1-3H3
InChIKeyJWTLARHBZXWLKK-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.76
Rot. Bonds5

About 1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-ol

1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-ol (PubChem CID 16732577) has the molecular formula C10H15FN2O3 and a molecular weight of 230.24 g/mol. Its IUPAC name is 1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-ol
PubChem CID16732577
Molecular FormulaC10H15FN2O3
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Name1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-ol
SMILESCOc1cc(CC(C)(O)CF)nc(OC)n1
InChIInChI=1S/C10H15FN2O3/c1-10(14,6-11)5-7-4-8(15-2)13-9(12-7)16-3/h4,14H,5-6H2,1-3H3
InChIKeyJWTLARHBZXWLKK-UHFFFAOYSA-N
XLogP0.76
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-ol?
The IUPAC name of 1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-ol (CID 16732577) is 1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-ol?
The canonical SMILES for 1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-ol is COc1cc(CC(C)(O)CF)nc(OC)n1.
What is the InChIKey of 1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-ol?
The InChIKey is JWTLARHBZXWLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3/c1-10(14,6-11)5-7-4-8(15-2)13-9(12-7)16-3/h4,14H,5-6H2,1-3H3.
What are the key properties of 1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-ol?
1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-ol has a molecular weight of 230.24 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-ol is sourced from PubChem (CID 16732577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).