1-(4,6-dichloropyrimidin-5-yl)propan-1-ol

C7H8Cl2N2O — CID 86632016

IUPAC1-(4,6-dichloropyrimidin-5-yl)propan-1-ol
SMILESCCC(O)c1c(Cl)ncnc1Cl
InChIInChI=1S/C7H8Cl2N2O/c1-2-4(12)5-6(8)10-3-11-7(5)9/h3-4,12H,2H2,1H3
InChIKeyFVBJBAHHSONBOC-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.23
Rot. Bonds2

About 1-(4,6-dichloropyrimidin-5-yl)propan-1-ol

1-(4,6-dichloropyrimidin-5-yl)propan-1-ol (PubChem CID 86632016) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 1-(4,6-dichloropyrimidin-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4,6-dichloropyrimidin-5-yl)propan-1-ol
PubChem CID86632016
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name1-(4,6-dichloropyrimidin-5-yl)propan-1-ol
SMILESCCC(O)c1c(Cl)ncnc1Cl
InChIInChI=1S/C7H8Cl2N2O/c1-2-4(12)5-6(8)10-3-11-7(5)9/h3-4,12H,2H2,1H3
InChIKeyFVBJBAHHSONBOC-UHFFFAOYSA-N
XLogP2.23
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloropyrimidin-5-yl)propan-1-ol?
The IUPAC name of 1-(4,6-dichloropyrimidin-5-yl)propan-1-ol (CID 86632016) is 1-(4,6-dichloropyrimidin-5-yl)propan-1-ol.
What is the SMILES notation for 1-(4,6-dichloropyrimidin-5-yl)propan-1-ol?
The canonical SMILES for 1-(4,6-dichloropyrimidin-5-yl)propan-1-ol is CCC(O)c1c(Cl)ncnc1Cl.
What is the InChIKey of 1-(4,6-dichloropyrimidin-5-yl)propan-1-ol?
The InChIKey is FVBJBAHHSONBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-2-4(12)5-6(8)10-3-11-7(5)9/h3-4,12H,2H2,1H3.
What are the key properties of 1-(4,6-dichloropyrimidin-5-yl)propan-1-ol?
1-(4,6-dichloropyrimidin-5-yl)propan-1-ol has a molecular weight of 207.06 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 1-(4,6-dichloropyrimidin-5-yl)propan-1-ol is sourced from PubChem (CID 86632016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).