3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)methyl]cyclohexan-1-ol

C19H19BrN2O2 — CID 70870491

IUPAC3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)methyl]cyclohexan-1-ol
SMILESOC1CCCC(Cc2ncnc3oc(-c4ccccc4)c(Br)c23)C1
InChIInChI=1S/C19H19BrN2O2/c20-17-16-15(10-12-5-4-8-14(23)9-12)21-11-22-19(16)24-18(17)13-6-2-1-3-7-13/h1-3,6-7,11-12,14,23H,4-5,8-10H2
InChIKeyOMKGLTPSFOIQTL-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.75
Rot. Bonds3

About 3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)methyl]cyclohexan-1-ol

3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)methyl]cyclohexan-1-ol (PubChem CID 70870491) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)methyl]cyclohexan-1-ol
PubChem CID70870491
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)methyl]cyclohexan-1-ol
SMILESOC1CCCC(Cc2ncnc3oc(-c4ccccc4)c(Br)c23)C1
InChIInChI=1S/C19H19BrN2O2/c20-17-16-15(10-12-5-4-8-14(23)9-12)21-11-22-19(16)24-18(17)13-6-2-1-3-7-13/h1-3,6-7,11-12,14,23H,4-5,8-10H2
InChIKeyOMKGLTPSFOIQTL-UHFFFAOYSA-N
XLogP4.75
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)methyl]cyclohexan-1-ol (CID 70870491) is 3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)methyl]cyclohexan-1-ol is OC1CCCC(Cc2ncnc3oc(-c4ccccc4)c(Br)c23)C1.
What is the InChIKey of 3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)methyl]cyclohexan-1-ol?
The InChIKey is OMKGLTPSFOIQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c20-17-16-15(10-12-5-4-8-14(23)9-12)21-11-22-19(16)24-18(17)13-6-2-1-3-7-13/h1-3,6-7,11-12,14,23H,4-5,8-10H2.
What are the key properties of 3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)methyl]cyclohexan-1-ol?
3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)methyl]cyclohexan-1-ol has a molecular weight of 387.28 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 70870491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).