1-(6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-yl)ethane-1,2-diol

C14H15N3O2 — CID 155519699

IUPAC1-(6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-yl)ethane-1,2-diol
SMILESOCC(O)c1cc(C2CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C14H15N3O2/c18-8-13(19)12-7-11(9-4-5-9)16-14(17-12)10-3-1-2-6-15-10/h1-3,6-7,9,13,18-19H,4-5,8H2
InChIKeyCTZOTQMJODGJDH-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.44
Rot. Bonds4

About 1-(6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-yl)ethane-1,2-diol

1-(6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-yl)ethane-1,2-diol (PubChem CID 155519699) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-yl)ethane-1,2-diol
PubChem CID155519699
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-yl)ethane-1,2-diol
SMILESOCC(O)c1cc(C2CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C14H15N3O2/c18-8-13(19)12-7-11(9-4-5-9)16-14(17-12)10-3-1-2-6-15-10/h1-3,6-7,9,13,18-19H,4-5,8H2
InChIKeyCTZOTQMJODGJDH-UHFFFAOYSA-N
XLogP1.44
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-yl)ethane-1,2-diol?
The IUPAC name of 1-(6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-yl)ethane-1,2-diol (CID 155519699) is 1-(6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-yl)ethane-1,2-diol?
The canonical SMILES for 1-(6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-yl)ethane-1,2-diol is OCC(O)c1cc(C2CC2)nc(-c2ccccn2)n1.
What is the InChIKey of 1-(6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-yl)ethane-1,2-diol?
The InChIKey is CTZOTQMJODGJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-8-13(19)12-7-11(9-4-5-9)16-14(17-12)10-3-1-2-6-15-10/h1-3,6-7,9,13,18-19H,4-5,8H2.
What are the key properties of 1-(6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-yl)ethane-1,2-diol?
1-(6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-yl)ethane-1,2-diol has a molecular weight of 257.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-yl)ethane-1,2-diol is sourced from PubChem (CID 155519699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).