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

C15H21N5O2 — CID 110013112

IUPAC1-[(2-hydroxycyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
SMILESO=C(NCc1ccnc2ccnn12)NCC1CCCCC1O
InChIInChI=1S/C15H21N5O2/c21-13-4-2-1-3-11(13)9-17-15(22)18-10-12-5-7-16-14-6-8-19-20(12)14/h5-8,11,13,21H,1-4,9-10H2,(H2,17,18,22)
InChIKeyZEPJGVFWVJSIHT-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.08
Rot. Bonds4

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

1-[(2-hydroxycyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea (PubChem CID 110013112) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[(2-hydroxycyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
PubChem CID110013112
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-[(2-hydroxycyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
SMILESO=C(NCc1ccnc2ccnn12)NCC1CCCCC1O
InChIInChI=1S/C15H21N5O2/c21-13-4-2-1-3-11(13)9-17-15(22)18-10-12-5-7-16-14-6-8-19-20(12)14/h5-8,11,13,21H,1-4,9-10H2,(H2,17,18,22)
InChIKeyZEPJGVFWVJSIHT-UHFFFAOYSA-N
XLogP1.08
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
The IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea (CID 110013112) is 1-[(2-hydroxycyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea.
What is the SMILES notation for 1-[(2-hydroxycyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
The canonical SMILES for 1-[(2-hydroxycyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea is O=C(NCc1ccnc2ccnn12)NCC1CCCCC1O.
What is the InChIKey of 1-[(2-hydroxycyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
The InChIKey is ZEPJGVFWVJSIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c21-13-4-2-1-3-11(13)9-17-15(22)18-10-12-5-7-16-14-6-8-19-20(12)14/h5-8,11,13,21H,1-4,9-10H2,(H2,17,18,22).
What are the key properties of 1-[(2-hydroxycyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
1-[(2-hydroxycyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea has a molecular weight of 303.37 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea is sourced from PubChem (CID 110013112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).