2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine

C9H14N4 — CID 82409935

IUPAC2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine
SMILESCN1CCc2cnc(CCN)nc21
InChIInChI=1S/C9H14N4/c1-13-5-3-7-6-11-8(2-4-10)12-9(7)13/h6H,2-5,10H2,1H3
InChIKeyBOKWJNCLLZYQFG-UHFFFAOYSA-N
MW178.24 g/mol
LogP-0.03
Rot. Bonds2

About 2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine

2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine (PubChem CID 82409935) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine
PubChem CID82409935
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine
SMILESCN1CCc2cnc(CCN)nc21
InChIInChI=1S/C9H14N4/c1-13-5-3-7-6-11-8(2-4-10)12-9(7)13/h6H,2-5,10H2,1H3
InChIKeyBOKWJNCLLZYQFG-UHFFFAOYSA-N
XLogP-0.03
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine?
The IUPAC name of 2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine (CID 82409935) is 2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine.
What is the SMILES notation for 2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine?
The canonical SMILES for 2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine is CN1CCc2cnc(CCN)nc21.
What is the InChIKey of 2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine?
The InChIKey is BOKWJNCLLZYQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-13-5-3-7-6-11-8(2-4-10)12-9(7)13/h6H,2-5,10H2,1H3.
What are the key properties of 2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine?
2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine has a molecular weight of 178.24 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine is sourced from PubChem (CID 82409935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).