[5-(2-chloropyrimidin-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C10H13ClN2O3 — CID 118141643

IUPAC[5-(2-chloropyrimidin-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)OC(CO)C(c2cnc(Cl)nc2)O1
InChIInChI=1S/C10H13ClN2O3/c1-10(2)15-7(5-14)8(16-10)6-3-12-9(11)13-4-6/h3-4,7-8,14H,5H2,1-2H3
InChIKeyXNAIMNNIADEZQD-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.31
Rot. Bonds2

About [5-(2-chloropyrimidin-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

[5-(2-chloropyrimidin-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 118141643) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is [5-(2-chloropyrimidin-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-chloropyrimidin-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID118141643
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name[5-(2-chloropyrimidin-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)OC(CO)C(c2cnc(Cl)nc2)O1
InChIInChI=1S/C10H13ClN2O3/c1-10(2)15-7(5-14)8(16-10)6-3-12-9(11)13-4-6/h3-4,7-8,14H,5H2,1-2H3
InChIKeyXNAIMNNIADEZQD-UHFFFAOYSA-N
XLogP1.31
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chloropyrimidin-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [5-(2-chloropyrimidin-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 118141643) is [5-(2-chloropyrimidin-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [5-(2-chloropyrimidin-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [5-(2-chloropyrimidin-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)OC(CO)C(c2cnc(Cl)nc2)O1.
What is the InChIKey of [5-(2-chloropyrimidin-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is XNAIMNNIADEZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-10(2)15-7(5-14)8(16-10)6-3-12-9(11)13-4-6/h3-4,7-8,14H,5H2,1-2H3.
What are the key properties of [5-(2-chloropyrimidin-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[5-(2-chloropyrimidin-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 244.68 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloropyrimidin-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 118141643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).