1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine

C9H11N5 — CID 166884920

IUPAC1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C2CC2)c2ncnc(N)c12
InChIInChI=1S/C9H11N5/c1-5-7-8(10)11-4-12-9(7)14(13-5)6-2-3-6/h4,6H,2-3H2,1H3,(H2,10,11,12)
InChIKeyZBPMECOAIUWZFW-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.05
Rot. Bonds1

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

1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 166884920) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID166884920
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C2CC2)c2ncnc(N)c12
InChIInChI=1S/C9H11N5/c1-5-7-8(10)11-4-12-9(7)14(13-5)6-2-3-6/h4,6H,2-3H2,1H3,(H2,10,11,12)
InChIKeyZBPMECOAIUWZFW-UHFFFAOYSA-N
XLogP1.05
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611389
ethane;3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611388
ethane;3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 156857327
1-[1-(azetidin-3-yl)piperidin-4-yl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166940800
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157493398
3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57355918
3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386266
4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol
CID 91560998
copper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate
CID 175873270
1-[(3S)-3-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 170252655
tert-butyl (2S)-4-[4-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]-2-methylpiperazine-1-carboxylate
CID 156857471
tert-butyl (3R)-3-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidine-1-carboxylate
CID 126660812

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 166884920) is 1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C2CC2)c2ncnc(N)c12.
What is the InChIKey of 1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZBPMECOAIUWZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-5-7-8(10)11-4-12-9(7)14(13-5)6-2-3-6/h4,6H,2-3H2,1H3,(H2,10,11,12).
What are the key properties of 1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 189.22 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 166884920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).