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

C9H14N6O — CID 104557102

IUPAC2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1nc(N)nc2[nH]ncc12
InChIInChI=1S/C9H14N6O/c1-5(4-16)15(2)8-6-3-11-14-7(6)12-9(10)13-8/h3,5,16H,4H2,1-2H3,(H3,10,11,12,13,14)
InChIKeyWNCLCMFBVMUISH-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.25
Rot. Bonds3

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

2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]propan-1-ol (PubChem CID 104557102) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]propan-1-ol
PubChem CID104557102
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1nc(N)nc2[nH]ncc12
InChIInChI=1S/C9H14N6O/c1-5(4-16)15(2)8-6-3-11-14-7(6)12-9(10)13-8/h3,5,16H,4H2,1-2H3,(H3,10,11,12,13,14)
InChIKeyWNCLCMFBVMUISH-UHFFFAOYSA-N
XLogP-0.25
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-Dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221159
2-(ethyl(1-methyl-4-(piperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)ethanol
CID 7216404
N-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221086
4-N,6-N-dimethyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223696
N-ethyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 223708
2-[(6-Chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 227483
3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-1-propanol
CID 237116
1H-Pyrazolo[3, N-butyl-
CID 221088
N-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221160
1H-Pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 222233
2-{4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethan-1-ol
CID 219877
N-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 228295

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]propan-1-ol (CID 104557102) is 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]propan-1-ol is CC(CO)N(C)c1nc(N)nc2[nH]ncc12.
What is the InChIKey of 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]propan-1-ol?
The InChIKey is WNCLCMFBVMUISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-5(4-16)15(2)8-6-3-11-14-7(6)12-9(10)13-8/h3,5,16H,4H2,1-2H3,(H3,10,11,12,13,14).
What are the key properties of 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]propan-1-ol?
2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]propan-1-ol has a molecular weight of 222.25 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]propan-1-ol is sourced from PubChem (CID 104557102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).