3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea

C10H16N8O — CID 83117480

IUPAC3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C10H16N8O/c1-18(2)10(19)13-4-3-12-7-6-5-14-17-8(6)16-9(11)15-7/h5H,3-4H2,1-2H3,(H,13,19)(H4,11,12,14,15,16,17)
InChIKeyBKKFFMMCTZQYMI-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.38
Rot. Bonds4

About 3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea

3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea (PubChem CID 83117480) has the molecular formula C10H16N8O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
PubChem CID83117480
Molecular FormulaC10H16N8O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C10H16N8O/c1-18(2)10(19)13-4-3-12-7-6-5-14-17-8(6)16-9(11)15-7/h5H,3-4H2,1-2H3,(H,13,19)(H4,11,12,14,15,16,17)
InChIKeyBKKFFMMCTZQYMI-UHFFFAOYSA-N
XLogP-0.38
TPSA124.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea (CID 83117480) is 3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNc1nc(N)nc2[nH]ncc12.
What is the InChIKey of 3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea?
The InChIKey is BKKFFMMCTZQYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N8O/c1-18(2)10(19)13-4-3-12-7-6-5-14-17-8(6)16-9(11)15-7/h5H,3-4H2,1-2H3,(H,13,19)(H4,11,12,14,15,16,17).
What are the key properties of 3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea?
3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea has a molecular weight of 264.29 g/mol, XLogP of -0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83117480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).