(4-bromo-2,6-dimethoxypyrimidin-5-yl)-phenylmethanol

C13H13BrN2O3 — CID 101405721

IUPAC(4-bromo-2,6-dimethoxypyrimidin-5-yl)-phenylmethanol
SMILESCOc1nc(Br)c(C(O)c2ccccc2)c(OC)n1
InChIInChI=1S/C13H13BrN2O3/c1-18-12-9(11(14)15-13(16-12)19-2)10(17)8-6-4-3-5-7-8/h3-7,10,17H,1-2H3
InChIKeySSLOJVSLOJZJAR-UHFFFAOYSA-N
MW325.16 g/mol
LogP2.34
Rot. Bonds4

About (4-bromo-2,6-dimethoxypyrimidin-5-yl)-phenylmethanol

(4-bromo-2,6-dimethoxypyrimidin-5-yl)-phenylmethanol (PubChem CID 101405721) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is (4-bromo-2,6-dimethoxypyrimidin-5-yl)-phenylmethanol.

Molecular Properties

Compound Name(4-bromo-2,6-dimethoxypyrimidin-5-yl)-phenylmethanol
PubChem CID101405721
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name(4-bromo-2,6-dimethoxypyrimidin-5-yl)-phenylmethanol
SMILESCOc1nc(Br)c(C(O)c2ccccc2)c(OC)n1
InChIInChI=1S/C13H13BrN2O3/c1-18-12-9(11(14)15-13(16-12)19-2)10(17)8-6-4-3-5-7-8/h3-7,10,17H,1-2H3
InChIKeySSLOJVSLOJZJAR-UHFFFAOYSA-N
XLogP2.34
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-dimethoxypyrimidin-5-yl)-phenylmethanol?
The IUPAC name of (4-bromo-2,6-dimethoxypyrimidin-5-yl)-phenylmethanol (CID 101405721) is (4-bromo-2,6-dimethoxypyrimidin-5-yl)-phenylmethanol.
What is the SMILES notation for (4-bromo-2,6-dimethoxypyrimidin-5-yl)-phenylmethanol?
The canonical SMILES for (4-bromo-2,6-dimethoxypyrimidin-5-yl)-phenylmethanol is COc1nc(Br)c(C(O)c2ccccc2)c(OC)n1.
What is the InChIKey of (4-bromo-2,6-dimethoxypyrimidin-5-yl)-phenylmethanol?
The InChIKey is SSLOJVSLOJZJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-18-12-9(11(14)15-13(16-12)19-2)10(17)8-6-4-3-5-7-8/h3-7,10,17H,1-2H3.
What are the key properties of (4-bromo-2,6-dimethoxypyrimidin-5-yl)-phenylmethanol?
(4-bromo-2,6-dimethoxypyrimidin-5-yl)-phenylmethanol has a molecular weight of 325.16 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-dimethoxypyrimidin-5-yl)-phenylmethanol is sourced from PubChem (CID 101405721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).