1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea

C13H19N5O2 — CID 110013074

IUPAC1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
SMILESCN(CC(C)(C)O)C(=O)NCc1ccnc2ccnn12
InChIInChI=1S/C13H19N5O2/c1-13(2,20)9-17(3)12(19)15-8-10-4-6-14-11-5-7-16-18(10)11/h4-7,20H,8-9H2,1-3H3,(H,15,19)
InChIKeyURAFERSAVPQZFL-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.64
Rot. Bonds4

About 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea

1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea (PubChem CID 110013074) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
PubChem CID110013074
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
SMILESCN(CC(C)(C)O)C(=O)NCc1ccnc2ccnn12
InChIInChI=1S/C13H19N5O2/c1-13(2,20)9-17(3)12(19)15-8-10-4-6-14-11-5-7-16-18(10)11/h4-7,20H,8-9H2,1-3H3,(H,15,19)
InChIKeyURAFERSAVPQZFL-UHFFFAOYSA-N
XLogP0.64
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea (CID 110013074) is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea is CN(CC(C)(C)O)C(=O)NCc1ccnc2ccnn12.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
The InChIKey is URAFERSAVPQZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-13(2,20)9-17(3)12(19)15-8-10-4-6-14-11-5-7-16-18(10)11/h4-7,20H,8-9H2,1-3H3,(H,15,19).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea has a molecular weight of 277.33 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea is sourced from PubChem (CID 110013074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).