1-propan-2-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea

C9H12N6O — CID 13011918

IUPAC1-propan-2-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
SMILESCC(C)NC(=O)Nc1ncnc2[nH]ncc12
InChIInChI=1S/C9H12N6O/c1-5(2)13-9(16)14-7-6-3-12-15-8(6)11-4-10-7/h3-5H,1-2H3,(H3,10,11,12,13,14,15,16)
InChIKeyPWRPOZTYZRYFDY-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.88
Rot. Bonds2

About 1-propan-2-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea

1-propan-2-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea (PubChem CID 13011918) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-propan-2-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-propan-2-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
PubChem CID13011918
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name1-propan-2-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
SMILESCC(C)NC(=O)Nc1ncnc2[nH]ncc12
InChIInChI=1S/C9H12N6O/c1-5(2)13-9(16)14-7-6-3-12-15-8(6)11-4-10-7/h3-5H,1-2H3,(H3,10,11,12,13,14,15,16)
InChIKeyPWRPOZTYZRYFDY-UHFFFAOYSA-N
XLogP0.88
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea?
The IUPAC name of 1-propan-2-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea (CID 13011918) is 1-propan-2-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea.
What is the SMILES notation for 1-propan-2-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea?
The canonical SMILES for 1-propan-2-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea is CC(C)NC(=O)Nc1ncnc2[nH]ncc12.
What is the InChIKey of 1-propan-2-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea?
The InChIKey is PWRPOZTYZRYFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-5(2)13-9(16)14-7-6-3-12-15-8(6)11-4-10-7/h3-5H,1-2H3,(H3,10,11,12,13,14,15,16).
What are the key properties of 1-propan-2-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea?
1-propan-2-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea has a molecular weight of 220.24 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea is sourced from PubChem (CID 13011918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).