N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C11H11N7 — CID 118317173

IUPACN-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cnc(CNc2ncnc3[nH]ncc23)cn1
InChIInChI=1S/C11H11N7/c1-7-2-13-8(3-12-7)4-14-10-9-5-17-18-11(9)16-6-15-10/h2-3,5-6H,4H2,1H3,(H2,14,15,16,17,18)
InChIKeyMTKVGDKJSIGMHB-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.06
Rot. Bonds3

About N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 118317173) has the molecular formula C11H11N7 and a molecular weight of 241.26 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID118317173
Molecular FormulaC11H11N7
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cnc(CNc2ncnc3[nH]ncc23)cn1
InChIInChI=1S/C11H11N7/c1-7-2-13-8(3-12-7)4-14-10-9-5-17-18-11(9)16-6-15-10/h2-3,5-6H,4H2,1H3,(H2,14,15,16,17,18)
InChIKeyMTKVGDKJSIGMHB-UHFFFAOYSA-N
XLogP1.06
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 118317173) is N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1cnc(CNc2ncnc3[nH]ncc23)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is MTKVGDKJSIGMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7/c1-7-2-13-8(3-12-7)4-14-10-9-5-17-18-11(9)16-6-15-10/h2-3,5-6H,4H2,1H3,(H2,14,15,16,17,18).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 241.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 118317173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).