(3S)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine

C14H22N6O — CID 56906290

IUPAC(3S)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOCc1nc(N2CC[C@H](N(C)C)C2)c2cnn(C)c2n1
InChIInChI=1S/C14H22N6O/c1-18(2)10-5-6-20(8-10)14-11-7-15-19(3)13(11)16-12(17-14)9-21-4/h7,10H,5-6,8-9H2,1-4H3/t10-/m0/s1
InChIKeyVHEACBSCYNPYOI-JTQLQIEISA-N
MW290.37 g/mol
LogP0.65
Rot. Bonds4

About (3S)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine

(3S)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 56906290) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is (3S)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID56906290
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name(3S)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOCc1nc(N2CC[C@H](N(C)C)C2)c2cnn(C)c2n1
InChIInChI=1S/C14H22N6O/c1-18(2)10-5-6-20(8-10)14-11-7-15-19(3)13(11)16-12(17-14)9-21-4/h7,10H,5-6,8-9H2,1-4H3/t10-/m0/s1
InChIKeyVHEACBSCYNPYOI-JTQLQIEISA-N
XLogP0.65
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3S)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine (CID 56906290) is (3S)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine is COCc1nc(N2CC[C@H](N(C)C)C2)c2cnn(C)c2n1.
What is the InChIKey of (3S)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is VHEACBSCYNPYOI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N6O/c1-18(2)10-5-6-20(8-10)14-11-7-15-19(3)13(11)16-12(17-14)9-21-4/h7,10H,5-6,8-9H2,1-4H3/t10-/m0/s1.
What are the key properties of (3S)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine?
(3S)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 290.37 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 56906290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).