dimethyl-[3-(methylamino)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]azanium chloride

C17H23ClN6 — CID 10760044

IUPACdimethyl-[3-(methylamino)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]azanium chloride
SMILESCNc1cc(CNc2nc(C)nc3[nH]ccc23)cc([NH+](C)C)c1.[Cl-]
InChIInChI=1S/C17H22N6.ClH/c1-11-21-16-15(5-6-19-16)17(22-11)20-10-12-7-13(18-2)9-14(8-12)23(3)4;/h5-9,18H,10H2,1-4H3,(H2,19,20,21,22);1H
InChIKeyGJWVDJXDUHJFQK-UHFFFAOYSA-N
MW346.87 g/mol
LogP-1.30
Rot. Bonds5

About dimethyl-[3-(methylamino)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]azanium chloride

dimethyl-[3-(methylamino)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]azanium chloride (PubChem CID 10760044) has the molecular formula C17H23ClN6 and a molecular weight of 346.87 g/mol. Its IUPAC name is dimethyl-[3-(methylamino)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[3-(methylamino)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]azanium chloride
PubChem CID10760044
Molecular FormulaC17H23ClN6
Molecular Weight346.87 g/mol
Exact Mass346.17
IUPAC Namedimethyl-[3-(methylamino)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]azanium chloride
SMILESCNc1cc(CNc2nc(C)nc3[nH]ccc23)cc([NH+](C)C)c1.[Cl-]
InChIInChI=1S/C17H22N6.ClH/c1-11-21-16-15(5-6-19-16)17(22-11)20-10-12-7-13(18-2)9-14(8-12)23(3)4;/h5-9,18H,10H2,1-4H3,(H2,19,20,21,22);1H
InChIKeyGJWVDJXDUHJFQK-UHFFFAOYSA-N
XLogP-1.30
TPSA70.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.87
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-(methylamino)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]azanium chloride?
The IUPAC name of dimethyl-[3-(methylamino)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]azanium chloride (CID 10760044) is dimethyl-[3-(methylamino)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]azanium chloride.
What is the SMILES notation for dimethyl-[3-(methylamino)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]azanium chloride?
The canonical SMILES for dimethyl-[3-(methylamino)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]azanium chloride is CNc1cc(CNc2nc(C)nc3[nH]ccc23)cc([NH+](C)C)c1.[Cl-].
What is the InChIKey of dimethyl-[3-(methylamino)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]azanium chloride?
The InChIKey is GJWVDJXDUHJFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6.ClH/c1-11-21-16-15(5-6-19-16)17(22-11)20-10-12-7-13(18-2)9-14(8-12)23(3)4;/h5-9,18H,10H2,1-4H3,(H2,19,20,21,22);1H.
What are the key properties of dimethyl-[3-(methylamino)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]azanium chloride?
dimethyl-[3-(methylamino)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]azanium chloride has a molecular weight of 346.87 g/mol, XLogP of -1.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(methylamino)-5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]azanium chloride is sourced from PubChem (CID 10760044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).