1-methyl-6-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine

C14H13N9S — CID 134697310

IUPAC1-methyl-6-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(N)nc(NCc3csc(-c4cnccn4)n3)nc21
InChIInChI=1S/C14H13N9S/c1-23-12-9(5-19-23)11(15)21-14(22-12)18-4-8-7-24-13(20-8)10-6-16-2-3-17-10/h2-3,5-7H,4H2,1H3,(H3,15,18,21,22)
InChIKeyVRHVPLXUAWMDNX-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.47
Rot. Bonds4

About 1-methyl-6-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine

1-methyl-6-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 134697310) has the molecular formula C14H13N9S and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-methyl-6-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name1-methyl-6-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID134697310
Molecular FormulaC14H13N9S
Molecular Weight339.39 g/mol
Exact Mass339.10
IUPAC Name1-methyl-6-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(N)nc(NCc3csc(-c4cnccn4)n3)nc21
InChIInChI=1S/C14H13N9S/c1-23-12-9(5-19-23)11(15)21-14(22-12)18-4-8-7-24-13(20-8)10-6-16-2-3-17-10/h2-3,5-7H,4H2,1H3,(H3,15,18,21,22)
InChIKeyVRHVPLXUAWMDNX-UHFFFAOYSA-N
XLogP1.47
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 1-methyl-6-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 134697310) is 1-methyl-6-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 1-methyl-6-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 1-methyl-6-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine is Cn1ncc2c(N)nc(NCc3csc(-c4cnccn4)n3)nc21.
What is the InChIKey of 1-methyl-6-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is VRHVPLXUAWMDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N9S/c1-23-12-9(5-19-23)11(15)21-14(22-12)18-4-8-7-24-13(20-8)10-6-16-2-3-17-10/h2-3,5-7H,4H2,1H3,(H3,15,18,21,22).
What are the key properties of 1-methyl-6-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
1-methyl-6-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 339.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 134697310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).