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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Related Compounds

tert-butyl 2-[(1S,3S)-3-(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)oxycyclohexyl]oxyacetate
CID 86653758
2-[(1R,3S)-3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]methyl]cyclopentyl]oxyacetic acid
CID 71177036
3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol
CID 130835243
3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol
CID 58280188
tert-butyl N-(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 58603319
4-bromo-2-(cyclopropylmethyl)-5-phenyl-1,3-oxazole
CID 177241052
N-(oxolan-2-ylmethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
CID 58603315
2-[[(2S)-1-(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)oxypropan-2-yl]oxymethyl]-3,3-dimethylbutanoic acid
CID 67306950
4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]benzaldehyde
CID 11509547
3-[(3-bromophenyl)methyl]cycloheptan-1-ol
CID 64515099
tert-butyl 2-[(1S,3S)-3-[[5-(4-ethenylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]oxyacetate
CID 58280117
1-[4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-2-methylpyrimidin-5-yl]ethanone
CID 71242445

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).