1-phenyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea

C12H10N6O — CID 13011932

IUPAC1-phenyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
SMILESO=C(Nc1ccccc1)Nc1ncnc2[nH]ncc12
InChIInChI=1S/C12H10N6O/c19-12(16-8-4-2-1-3-5-8)17-10-9-6-15-18-11(9)14-7-13-10/h1-7H,(H3,13,14,15,16,17,18,19)
InChIKeyIZYDSIHQMRJXBK-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.00
Rot. Bonds2

About 1-phenyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea

1-phenyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea (PubChem CID 13011932) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-phenyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
PubChem CID13011932
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name1-phenyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
SMILESO=C(Nc1ccccc1)Nc1ncnc2[nH]ncc12
InChIInChI=1S/C12H10N6O/c19-12(16-8-4-2-1-3-5-8)17-10-9-6-15-18-11(9)14-7-13-10/h1-7H,(H3,13,14,15,16,17,18,19)
InChIKeyIZYDSIHQMRJXBK-UHFFFAOYSA-N
XLogP2.00
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea?
The IUPAC name of 1-phenyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea (CID 13011932) is 1-phenyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea.
What is the SMILES notation for 1-phenyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea?
The canonical SMILES for 1-phenyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea is O=C(Nc1ccccc1)Nc1ncnc2[nH]ncc12.
What is the InChIKey of 1-phenyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea?
The InChIKey is IZYDSIHQMRJXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c19-12(16-8-4-2-1-3-5-8)17-10-9-6-15-18-11(9)14-7-13-10/h1-7H,(H3,13,14,15,16,17,18,19).
What are the key properties of 1-phenyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea?
1-phenyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea has a molecular weight of 254.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea is sourced from PubChem (CID 13011932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).