3-N-(5-amino-2-methyl-3-pyridinyl)-1-methyl-6-N-(2-methyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

C18H19N9 — CID 167444412

IUPAC3-N-(5-amino-2-methyl-3-pyridinyl)-1-methyl-6-N-(2-methyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCc1ncccc1Nc1ncc2c(Nc3cc(N)cnc3C)nn(C)c2n1
InChIInChI=1S/C18H19N9/c1-10-14(5-4-6-20-10)24-18-22-9-13-16(26-27(3)17(13)25-18)23-15-7-12(19)8-21-11(15)2/h4-9H,19H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyKFLNZBUWMFSIKU-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.84
Rot. Bonds4

About 3-N-(5-amino-2-methyl-3-pyridinyl)-1-methyl-6-N-(2-methyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

3-N-(5-amino-2-methyl-3-pyridinyl)-1-methyl-6-N-(2-methyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 167444412) has the molecular formula C18H19N9 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-N-(5-amino-2-methyl-3-pyridinyl)-1-methyl-6-N-(2-methyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name3-N-(5-amino-2-methyl-3-pyridinyl)-1-methyl-6-N-(2-methyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID167444412
Molecular FormulaC18H19N9
Molecular Weight361.41 g/mol
Exact Mass361.18
IUPAC Name3-N-(5-amino-2-methyl-3-pyridinyl)-1-methyl-6-N-(2-methyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCc1ncccc1Nc1ncc2c(Nc3cc(N)cnc3C)nn(C)c2n1
InChIInChI=1S/C18H19N9/c1-10-14(5-4-6-20-10)24-18-22-9-13-16(26-27(3)17(13)25-18)23-15-7-12(19)8-21-11(15)2/h4-9H,19H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyKFLNZBUWMFSIKU-UHFFFAOYSA-N
XLogP2.84
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-N-(5-amino-2-methyl-3-pyridinyl)-1-methyl-6-N-(2-methyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 3-N-(5-amino-2-methyl-3-pyridinyl)-1-methyl-6-N-(2-methyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 167444412) is 3-N-(5-amino-2-methyl-3-pyridinyl)-1-methyl-6-N-(2-methyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 3-N-(5-amino-2-methyl-3-pyridinyl)-1-methyl-6-N-(2-methyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 3-N-(5-amino-2-methyl-3-pyridinyl)-1-methyl-6-N-(2-methyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is Cc1ncccc1Nc1ncc2c(Nc3cc(N)cnc3C)nn(C)c2n1.
What is the InChIKey of 3-N-(5-amino-2-methyl-3-pyridinyl)-1-methyl-6-N-(2-methyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is KFLNZBUWMFSIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9/c1-10-14(5-4-6-20-10)24-18-22-9-13-16(26-27(3)17(13)25-18)23-15-7-12(19)8-21-11(15)2/h4-9H,19H2,1-3H3,(H,23,26)(H,22,24,25).
What are the key properties of 3-N-(5-amino-2-methyl-3-pyridinyl)-1-methyl-6-N-(2-methyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
3-N-(5-amino-2-methyl-3-pyridinyl)-1-methyl-6-N-(2-methyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 361.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-amino-2-methyl-3-pyridinyl)-1-methyl-6-N-(2-methyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 167444412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).