ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C8H13N5 — CID 143264470

IUPACethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC.Cn1ncc2c(N)ncnc21
InChIInChI=1S/C6H7N5.C2H6/c1-11-6-4(2-10-11)5(7)8-3-9-6;1-2/h2-3H,1H3,(H2,7,8,9);1-2H3
InChIKeyZMFQEWXNJNYTRJ-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.97
Rot. Bonds

About ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine

ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 143264470) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID143264470
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Nameethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC.Cn1ncc2c(N)ncnc21
InChIInChI=1S/C6H7N5.C2H6/c1-11-6-4(2-10-11)5(7)8-3-9-6;1-2/h2-3H,1H3,(H2,7,8,9);1-2H3
InChIKeyZMFQEWXNJNYTRJ-UHFFFAOYSA-N
XLogP0.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63022431
1-[(2S)-3,3-dimethylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 66615504
1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 154123352
1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine
CID 163990677
4-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidine
CID 166783555
1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 141177025
3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine
CID 63197046
1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 71226198
2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetonitrile
CID 42103954
1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82192765
4-(3-chlorobutan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidine
CID 63203147
3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol
CID 63205559

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 143264470) is ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CC.Cn1ncc2c(N)ncnc21.
What is the InChIKey of ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZMFQEWXNJNYTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5.C2H6/c1-11-6-4(2-10-11)5(7)8-3-9-6;1-2/h2-3H,1H3,(H2,7,8,9);1-2H3.
What are the key properties of ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 179.23 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 143264470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).