7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine

C9H17N5O2S — CID 136933850

IUPAC7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(c1S(C)(=O)=O)NCCC2CN
InChIInChI=1S/C9H17N5O2S/c1-11-8-7(17(2,15)16)9-12-4-3-6(5-10)14(9)13-8/h6,12H,3-5,10H2,1-2H3,(H,11,13)
InChIKeyZTXZEGLHKBAKBW-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.36
Rot. Bonds3

About 7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine

7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 136933850) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID136933850
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(c1S(C)(=O)=O)NCCC2CN
InChIInChI=1S/C9H17N5O2S/c1-11-8-7(17(2,15)16)9-12-4-3-6(5-10)14(9)13-8/h6,12H,3-5,10H2,1-2H3,(H,11,13)
InChIKeyZTXZEGLHKBAKBW-UHFFFAOYSA-N
XLogP-0.36
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine (CID 136933850) is 7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(c1S(C)(=O)=O)NCCC2CN.
What is the InChIKey of 7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is ZTXZEGLHKBAKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-11-8-7(17(2,15)16)9-12-4-3-6(5-10)14(9)13-8/h6,12H,3-5,10H2,1-2H3,(H,11,13).
What are the key properties of 7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 259.33 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 136933850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).