1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine

C10H9N7 — CID 164800826

IUPAC1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(-c3cncnc3)nc21
InChIInChI=1S/C10H9N7/c1-17-10-7(4-14-17)8(11)15-9(16-10)6-2-12-5-13-3-6/h2-5H,1H3,(H2,11,15,16)
InChIKeyPUBWBEMITXCJND-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.40
Rot. Bonds1

About 1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 164800826) has the molecular formula C10H9N7 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID164800826
Molecular FormulaC10H9N7
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC Name1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(-c3cncnc3)nc21
InChIInChI=1S/C10H9N7/c1-17-10-7(4-14-17)8(11)15-9(16-10)6-2-12-5-13-3-6/h2-5H,1H3,(H2,11,15,16)
InChIKeyPUBWBEMITXCJND-UHFFFAOYSA-N
XLogP0.40
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(6-amino-4-methyl-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 165427184
5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one
CID 155916412
1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 155914044
ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 143264470
6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 130346081
2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol
CID 141176999
1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine
CID 82415128
1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 107756543
2-pyrimidin-5-ylpyrimidine-4,5-diamine
CID 175790998
6-(2-methoxyethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220831
1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220955
1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24938561

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 164800826) is 1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(N)nc(-c3cncnc3)nc21.
What is the InChIKey of 1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PUBWBEMITXCJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7/c1-17-10-7(4-14-17)8(11)15-9(16-10)6-2-12-5-13-3-6/h2-5H,1H3,(H2,11,15,16).
What are the key properties of 1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 227.23 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 164800826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).