N,N-dimethyl-2-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]ethanamine

C11H16N4O — CID 171795791

IUPACN,N-dimethyl-2-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]ethanamine
SMILESCc1nc(OCCN(C)C)c2cc[nH]c2n1
InChIInChI=1S/C11H16N4O/c1-8-13-10-9(4-5-12-10)11(14-8)16-7-6-15(2)3/h4-5H,6-7H2,1-3H3,(H,12,13,14)
InChIKeyJOGZTCXGLPIEKO-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.21
Rot. Bonds4

About N,N-dimethyl-2-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]ethanamine

N,N-dimethyl-2-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]ethanamine (PubChem CID 171795791) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]ethanamine
PubChem CID171795791
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN,N-dimethyl-2-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]ethanamine
SMILESCc1nc(OCCN(C)C)c2cc[nH]c2n1
InChIInChI=1S/C11H16N4O/c1-8-13-10-9(4-5-12-10)11(14-8)16-7-6-15(2)3/h4-5H,6-7H2,1-3H3,(H,12,13,14)
InChIKeyJOGZTCXGLPIEKO-UHFFFAOYSA-N
XLogP1.21
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]ethanamine (CID 171795791) is N,N-dimethyl-2-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]ethanamine is Cc1nc(OCCN(C)C)c2cc[nH]c2n1.
What is the InChIKey of N,N-dimethyl-2-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]ethanamine?
The InChIKey is JOGZTCXGLPIEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-13-10-9(4-5-12-10)11(14-8)16-7-6-15(2)3/h4-5H,6-7H2,1-3H3,(H,12,13,14).
What are the key properties of N,N-dimethyl-2-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]ethanamine?
N,N-dimethyl-2-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]ethanamine has a molecular weight of 220.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]ethanamine is sourced from PubChem (CID 171795791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).