1-(1-hydroxy-3-methylpentan-3-yl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea

C14H21N5O2 — CID 110013105

IUPAC1-(1-hydroxy-3-methylpentan-3-yl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
SMILESCCC(C)(CCO)NC(=O)NCc1ccnc2ccnn12
InChIInChI=1S/C14H21N5O2/c1-3-14(2,6-9-20)18-13(21)16-10-11-4-7-15-12-5-8-17-19(11)12/h4-5,7-8,20H,3,6,9-10H2,1-2H3,(H2,16,18,21)
InChIKeySAWRQICOPYWJFE-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.08
Rot. Bonds6

About 1-(1-hydroxy-3-methylpentan-3-yl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea

1-(1-hydroxy-3-methylpentan-3-yl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea (PubChem CID 110013105) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(1-hydroxy-3-methylpentan-3-yl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-3-methylpentan-3-yl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
PubChem CID110013105
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name1-(1-hydroxy-3-methylpentan-3-yl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
SMILESCCC(C)(CCO)NC(=O)NCc1ccnc2ccnn12
InChIInChI=1S/C14H21N5O2/c1-3-14(2,6-9-20)18-13(21)16-10-11-4-7-15-12-5-8-17-19(11)12/h4-5,7-8,20H,3,6,9-10H2,1-2H3,(H2,16,18,21)
InChIKeySAWRQICOPYWJFE-UHFFFAOYSA-N
XLogP1.08
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
CID 110013074
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
CID 110007261
1-[(2-hydroxycyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
CID 110013112
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
CID 110013126
ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate
CID 133440185
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
CID 110013076
2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 79801072
3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106172739
1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea
CID 103819942
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
N-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide
CID 103946130
2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303675

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3-methylpentan-3-yl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
The IUPAC name of 1-(1-hydroxy-3-methylpentan-3-yl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea (CID 110013105) is 1-(1-hydroxy-3-methylpentan-3-yl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea.
What is the SMILES notation for 1-(1-hydroxy-3-methylpentan-3-yl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
The canonical SMILES for 1-(1-hydroxy-3-methylpentan-3-yl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea is CCC(C)(CCO)NC(=O)NCc1ccnc2ccnn12.
What is the InChIKey of 1-(1-hydroxy-3-methylpentan-3-yl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
The InChIKey is SAWRQICOPYWJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-14(2,6-9-20)18-13(21)16-10-11-4-7-15-12-5-8-17-19(11)12/h4-5,7-8,20H,3,6,9-10H2,1-2H3,(H2,16,18,21).
What are the key properties of 1-(1-hydroxy-3-methylpentan-3-yl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea?
1-(1-hydroxy-3-methylpentan-3-yl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea has a molecular weight of 291.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3-methylpentan-3-yl)-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea is sourced from PubChem (CID 110013105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).