6-methyl-N-[(3-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C12H13N7 — CID 123712639

IUPAC6-methyl-N-[(3-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(NCc2nccnc2C)c2cn[nH]c2n1
InChIInChI=1S/C12H13N7/c1-7-10(14-4-3-13-7)6-15-11-9-5-16-19-12(9)18-8(2)17-11/h3-5H,6H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyPKAGFUUDROPRGU-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.37
Rot. Bonds3

About 6-methyl-N-[(3-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

6-methyl-N-[(3-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 123712639) has the molecular formula C12H13N7 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-methyl-N-[(3-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(3-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID123712639
Molecular FormulaC12H13N7
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name6-methyl-N-[(3-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(NCc2nccnc2C)c2cn[nH]c2n1
InChIInChI=1S/C12H13N7/c1-7-10(14-4-3-13-7)6-15-11-9-5-16-19-12(9)18-8(2)17-11/h3-5H,6H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyPKAGFUUDROPRGU-UHFFFAOYSA-N
XLogP1.37
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(3-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[(3-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 123712639) is 6-methyl-N-[(3-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[(3-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[(3-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1nc(NCc2nccnc2C)c2cn[nH]c2n1.
What is the InChIKey of 6-methyl-N-[(3-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is PKAGFUUDROPRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-7-10(14-4-3-13-7)6-15-11-9-5-16-19-12(9)18-8(2)17-11/h3-5H,6H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 6-methyl-N-[(3-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
6-methyl-N-[(3-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 255.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(3-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 123712639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).