5-(2-methoxyethenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C9H10N4O — CID 91079604

IUPAC5-(2-methoxyethenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOC=Cc1c[nH]c2nc(N)ncc12
InChIInChI=1S/C9H10N4O/c1-14-3-2-6-4-11-8-7(6)5-12-9(10)13-8/h2-5H,1H3,(H3,10,11,12,13)
InChIKeyPGJSLPUOCSWOCH-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.16
Rot. Bonds2

About 5-(2-methoxyethenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-(2-methoxyethenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 91079604) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 5-(2-methoxyethenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-methoxyethenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID91079604
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name5-(2-methoxyethenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOC=Cc1c[nH]c2nc(N)ncc12
InChIInChI=1S/C9H10N4O/c1-14-3-2-6-4-11-8-7(6)5-12-9(10)13-8/h2-5H,1H3,(H3,10,11,12,13)
InChIKeyPGJSLPUOCSWOCH-UHFFFAOYSA-N
XLogP1.16
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-N-[(2-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-methoxybenzene-1,2-diamine
CID 70494011
methyl 3-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)prop-2-enoate
CID 169479802
5-(2-aminoethenyl)-4-N-methylpyrimidine-2,4-diamine
CID 154937324
4-chloro-2-(2-methoxyethenyl)-6,7-dimethyl-1H-pyrrolo[3,2-c]pyridine
CID 165344517
3-(5-acetamido-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 69010992
6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 53412519
6-methyl-3-[(1E,3E)-penta-1,3-dienyl]-1H-pyrrolo[2,3-b]pyridine
CID 20662671
5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine
CID 170486747
5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde
CID 118798182
N-methoxy-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine
CID 82656453
ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate
CID 164908029
5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 127049686

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-(2-methoxyethenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 91079604) is 5-(2-methoxyethenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-(2-methoxyethenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-(2-methoxyethenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is COC=Cc1c[nH]c2nc(N)ncc12.
What is the InChIKey of 5-(2-methoxyethenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is PGJSLPUOCSWOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-14-3-2-6-4-11-8-7(6)5-12-9(10)13-8/h2-5H,1H3,(H3,10,11,12,13).
What are the key properties of 5-(2-methoxyethenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-(2-methoxyethenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 190.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 91079604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).