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

C9H14N6O2 — CID 114157121

IUPAC2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C9H14N6O2/c1-17-4-5(3-16)12-7-6-2-11-15-8(6)14-9(10)13-7/h2,5,16H,3-4H2,1H3,(H4,10,11,12,13,14,15)
InChIKeyAMYGOELJGBLYDY-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.65
Rot. Bonds5

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

2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol (PubChem CID 114157121) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol
PubChem CID114157121
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C9H14N6O2/c1-17-4-5(3-16)12-7-6-2-11-15-8(6)14-9(10)13-7/h2,5,16H,3-4H2,1H3,(H4,10,11,12,13,14,15)
InChIKeyAMYGOELJGBLYDY-UHFFFAOYSA-N
XLogP-0.65
TPSA121.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol (CID 114157121) is 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol is COCC(CO)Nc1nc(N)nc2[nH]ncc12.
What is the InChIKey of 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The InChIKey is AMYGOELJGBLYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c1-17-4-5(3-16)12-7-6-2-11-15-8(6)14-9(10)13-7/h2,5,16H,3-4H2,1H3,(H4,10,11,12,13,14,15).
What are the key properties of 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol has a molecular weight of 238.25 g/mol, XLogP of -0.65, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 114157121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).