N-methyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H19N7 — CID 95764140

IUPACN-methyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(C[C@H]1CCCN1c1cccnn1)c1ncnc2[nH]ccc12
InChIInChI=1S/C16H19N7/c1-22(16-13-6-8-17-15(13)18-11-19-16)10-12-4-3-9-23(12)14-5-2-7-20-21-14/h2,5-8,11-12H,3-4,9-10H2,1H3,(H,17,18,19)/t12-/m1/s1
InChIKeyZIJHIBUIFJTKBY-GFCCVEGCSA-N
MW309.38 g/mol
LogP1.85
Rot. Bonds4

About N-methyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 95764140) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-methyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID95764140
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC NameN-methyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(C[C@H]1CCCN1c1cccnn1)c1ncnc2[nH]ccc12
InChIInChI=1S/C16H19N7/c1-22(16-13-6-8-17-15(13)18-11-19-16)10-12-4-3-9-23(12)14-5-2-7-20-21-14/h2,5-8,11-12H,3-4,9-10H2,1H3,(H,17,18,19)/t12-/m1/s1
InChIKeyZIJHIBUIFJTKBY-GFCCVEGCSA-N
XLogP1.85
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 95764140) is N-methyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(C[C@H]1CCCN1c1cccnn1)c1ncnc2[nH]ccc12.
What is the InChIKey of N-methyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZIJHIBUIFJTKBY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N7/c1-22(16-13-6-8-17-15(13)18-11-19-16)10-12-4-3-9-23(12)14-5-2-7-20-21-14/h2,5-8,11-12H,3-4,9-10H2,1H3,(H,17,18,19)/t12-/m1/s1.
What are the key properties of N-methyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 309.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 95764140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).