3-(2-cyclopropylpyrimidin-5-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea

C13H20N4O2 — CID 111926317

IUPAC3-(2-cyclopropylpyrimidin-5-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
SMILESCN(CC(C)(C)O)C(=O)Nc1cnc(C2CC2)nc1
InChIInChI=1S/C13H20N4O2/c1-13(2,19)8-17(3)12(18)16-10-6-14-11(15-7-10)9-4-5-9/h6-7,9,19H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyZIZTXHWBFJTHJU-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.59
Rot. Bonds4

About 3-(2-cyclopropylpyrimidin-5-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea

3-(2-cyclopropylpyrimidin-5-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea (PubChem CID 111926317) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(2-cyclopropylpyrimidin-5-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea.

Molecular Properties

Compound Name3-(2-cyclopropylpyrimidin-5-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
PubChem CID111926317
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-(2-cyclopropylpyrimidin-5-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
SMILESCN(CC(C)(C)O)C(=O)Nc1cnc(C2CC2)nc1
InChIInChI=1S/C13H20N4O2/c1-13(2,19)8-17(3)12(18)16-10-6-14-11(15-7-10)9-4-5-9/h6-7,9,19H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyZIZTXHWBFJTHJU-UHFFFAOYSA-N
XLogP1.59
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylpyrimidin-5-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The IUPAC name of 3-(2-cyclopropylpyrimidin-5-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea (CID 111926317) is 3-(2-cyclopropylpyrimidin-5-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea.
What is the SMILES notation for 3-(2-cyclopropylpyrimidin-5-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The canonical SMILES for 3-(2-cyclopropylpyrimidin-5-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea is CN(CC(C)(C)O)C(=O)Nc1cnc(C2CC2)nc1.
What is the InChIKey of 3-(2-cyclopropylpyrimidin-5-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The InChIKey is ZIZTXHWBFJTHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,19)8-17(3)12(18)16-10-6-14-11(15-7-10)9-4-5-9/h6-7,9,19H,4-5,8H2,1-3H3,(H,16,18).
What are the key properties of 3-(2-cyclopropylpyrimidin-5-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
3-(2-cyclopropylpyrimidin-5-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea has a molecular weight of 264.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylpyrimidin-5-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea is sourced from PubChem (CID 111926317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).