(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl) carbamate

C7H8N6O2 — CID 143605674

IUPAC(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl) carbamate
SMILESCn1ncc2c(OC(N)=O)nc(N)nc21
InChIInChI=1S/C7H8N6O2/c1-13-4-3(2-10-13)5(15-7(9)14)12-6(8)11-4/h2H,1H3,(H2,9,14)(H2,8,11,12)
InChIKeyQEWXIOKCHLBKOX-UHFFFAOYSA-N
MW208.18 g/mol
LogP-0.60
Rot. Bonds1

About (6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl) carbamate

(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl) carbamate (PubChem CID 143605674) has the molecular formula C7H8N6O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is (6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl) carbamate.

Molecular Properties

Compound Name(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl) carbamate
PubChem CID143605674
Molecular FormulaC7H8N6O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl) carbamate
SMILESCn1ncc2c(OC(N)=O)nc(N)nc21
InChIInChI=1S/C7H8N6O2/c1-13-4-3(2-10-13)5(15-7(9)14)12-6(8)11-4/h2H,1H3,(H2,9,14)(H2,8,11,12)
InChIKeyQEWXIOKCHLBKOX-UHFFFAOYSA-N
XLogP-0.60
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine
CID 82415128
methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 127243781
1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 71004312
1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 139014359
(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate
CID 143605611
4-(hydroxymethyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 166796739
[3-methoxy-4-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate
CID 174405697
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512
ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate
CID 86624427
1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone
CID 123677615
tert-butyl (3S)-4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperazine-1-carboxylate
CID 140731421
[6-butoxy-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-yl] carbamate
CID 175111264

Frequently Asked Questions

What is the IUPAC name of (6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl) carbamate?
The IUPAC name of (6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl) carbamate (CID 143605674) is (6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl) carbamate.
What is the SMILES notation for (6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl) carbamate?
The canonical SMILES for (6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl) carbamate is Cn1ncc2c(OC(N)=O)nc(N)nc21.
What is the InChIKey of (6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl) carbamate?
The InChIKey is QEWXIOKCHLBKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2/c1-13-4-3(2-10-13)5(15-7(9)14)12-6(8)11-4/h2H,1H3,(H2,9,14)(H2,8,11,12).
What are the key properties of (6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl) carbamate?
(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl) carbamate has a molecular weight of 208.18 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl) carbamate is sourced from PubChem (CID 143605674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).