3-(2-hydroxyethyl)-1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)urea

C14H14N6O2 — CID 66593998

IUPAC3-(2-hydroxyethyl)-1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)urea
SMILESO=C(NCCO)N(c1ccccc1)c1ncc2cn[nH]c2n1
InChIInChI=1S/C14H14N6O2/c21-7-6-15-14(22)20(11-4-2-1-3-5-11)13-16-8-10-9-17-19-12(10)18-13/h1-5,8-9,21H,6-7H2,(H,15,22)(H,16,17,18,19)
InChIKeyIBGCVWJOWNUEDE-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.19
Rot. Bonds4

About 3-(2-hydroxyethyl)-1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)urea

3-(2-hydroxyethyl)-1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)urea (PubChem CID 66593998) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)urea.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)urea
PubChem CID66593998
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name3-(2-hydroxyethyl)-1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)urea
SMILESO=C(NCCO)N(c1ccccc1)c1ncc2cn[nH]c2n1
InChIInChI=1S/C14H14N6O2/c21-7-6-15-14(22)20(11-4-2-1-3-5-11)13-16-8-10-9-17-19-12(10)18-13/h1-5,8-9,21H,6-7H2,(H,15,22)(H,16,17,18,19)
InChIKeyIBGCVWJOWNUEDE-UHFFFAOYSA-N
XLogP1.19
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(2-hydroxyethoxy)-3-pyridinyl]-1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)urea
CID 66594734
1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea
CID 66593528
3-[3-(dimethylamino)propyl]-1,1-diphenylurea
CID 3525114
3-[2-(dimethylamino)ethyl]-1-phenyl-1-pyrimidin-5-ylurea
CID 68640111
1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea
CID 59306221
1-phenyl-3-pyridin-4-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea
CID 69025976
1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 23738363
2-aminoethyl N-[N-(2-hydroxyethylcarbamoyl)anilino]carbamate
CID 57137953
2-[[2-(N-phenylanilino)quinazolin-4-yl]amino]ethanol
CID 13346996
4-[3-chloro-N-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)anilino]cyclohexan-1-ol
CID 91550730
N,N-diphenyl-1H-pyrazole-4-carboxamide
CID 91240587
2-hydroxy-N-phenyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetamide
CID 90032953

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)urea?
The IUPAC name of 3-(2-hydroxyethyl)-1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)urea (CID 66593998) is 3-(2-hydroxyethyl)-1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)urea.
What is the SMILES notation for 3-(2-hydroxyethyl)-1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)urea?
The canonical SMILES for 3-(2-hydroxyethyl)-1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)urea is O=C(NCCO)N(c1ccccc1)c1ncc2cn[nH]c2n1.
What is the InChIKey of 3-(2-hydroxyethyl)-1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)urea?
The InChIKey is IBGCVWJOWNUEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c21-7-6-15-14(22)20(11-4-2-1-3-5-11)13-16-8-10-9-17-19-12(10)18-13/h1-5,8-9,21H,6-7H2,(H,15,22)(H,16,17,18,19).
What are the key properties of 3-(2-hydroxyethyl)-1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)urea?
3-(2-hydroxyethyl)-1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)urea has a molecular weight of 298.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)urea is sourced from PubChem (CID 66593998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).