cyclopropyl-(4,6-dichloropyrimidin-5-yl)methanol

C8H8Cl2N2O — CID 86598743

IUPACcyclopropyl-(4,6-dichloropyrimidin-5-yl)methanol
SMILESOC(c1c(Cl)ncnc1Cl)C1CC1
InChIInChI=1S/C8H8Cl2N2O/c9-7-5(6(13)4-1-2-4)8(10)12-3-11-7/h3-4,6,13H,1-2H2
InChIKeyIJGVPIQKQDHSKH-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.23
Rot. Bonds2

About cyclopropyl-(4,6-dichloropyrimidin-5-yl)methanol

cyclopropyl-(4,6-dichloropyrimidin-5-yl)methanol (PubChem CID 86598743) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is cyclopropyl-(4,6-dichloropyrimidin-5-yl)methanol.

Molecular Properties

Compound Namecyclopropyl-(4,6-dichloropyrimidin-5-yl)methanol
PubChem CID86598743
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Namecyclopropyl-(4,6-dichloropyrimidin-5-yl)methanol
SMILESOC(c1c(Cl)ncnc1Cl)C1CC1
InChIInChI=1S/C8H8Cl2N2O/c9-7-5(6(13)4-1-2-4)8(10)12-3-11-7/h3-4,6,13H,1-2H2
InChIKeyIJGVPIQKQDHSKH-UHFFFAOYSA-N
XLogP2.23
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,6-Dichloropyrimidin-5-yl)ethan-1-ol
CID 12278258
[4-Chloro-2-(difluoromethyl)pyrimidin-5-yl]-cyclopropylmethanol
CID 88322344
3-(4,6-Dichloropyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol
CID 165673887
1-(4,6-Dichloropyrimidin-5-yl)-2-fluoroethan-1-ol
CID 165781546
1-(4,6-Dichloropyrimidin-5-yl)-2,2-difluoroethan-1-ol
CID 165782597
Cyclopropyl(pyrimidin-5-yl)methanol
CID 19843738
(+/-)-1-(2,4-Dichloro-pyrimidin-5-yl)-2-methyl-propan-1-ol
CID 21946010
(+/-)-1-(2,4-Dichloro-pyrimidin-5-yl)-propan-1-ol
CID 21946018
1-(2-Amino-4,6-dichloropyrimidin-5-yl)-3-buten-1-ol
CID 58201189
1-(2-Amino-4,6-dichloropyrimidin-5-yl)pent-4-en-1-ol
CID 59311650
1-(4,6-Dichloropyrimidin-5-yl)propan-1-ol
CID 86632016
1-(2-Chloropyrimidin-5-yl)-3-methylbutan-1-ol
CID 86667308

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4,6-dichloropyrimidin-5-yl)methanol?
The IUPAC name of cyclopropyl-(4,6-dichloropyrimidin-5-yl)methanol (CID 86598743) is cyclopropyl-(4,6-dichloropyrimidin-5-yl)methanol.
What is the SMILES notation for cyclopropyl-(4,6-dichloropyrimidin-5-yl)methanol?
The canonical SMILES for cyclopropyl-(4,6-dichloropyrimidin-5-yl)methanol is OC(c1c(Cl)ncnc1Cl)C1CC1.
What is the InChIKey of cyclopropyl-(4,6-dichloropyrimidin-5-yl)methanol?
The InChIKey is IJGVPIQKQDHSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c9-7-5(6(13)4-1-2-4)8(10)12-3-11-7/h3-4,6,13H,1-2H2.
What are the key properties of cyclopropyl-(4,6-dichloropyrimidin-5-yl)methanol?
cyclopropyl-(4,6-dichloropyrimidin-5-yl)methanol has a molecular weight of 219.07 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4,6-dichloropyrimidin-5-yl)methanol is sourced from PubChem (CID 86598743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).