5-(3-aminoprop-1-enyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C9H11N5 — CID 169464554

IUPAC5-(3-aminoprop-1-enyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNCC=Cc1c[nH]c2ncnc(N)c12
InChIInChI=1S/C9H11N5/c10-3-1-2-6-4-12-9-7(6)8(11)13-5-14-9/h1-2,4-5H,3,10H2,(H3,11,12,13,14)
InChIKeyZADCIROPFZWDDF-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.51
Rot. Bonds2

About 5-(3-aminoprop-1-enyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-(3-aminoprop-1-enyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 169464554) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-(3-aminoprop-1-enyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-aminoprop-1-enyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID169464554
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name5-(3-aminoprop-1-enyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNCC=Cc1c[nH]c2ncnc(N)c12
InChIInChI=1S/C9H11N5/c10-3-1-2-6-4-12-9-7(6)8(11)13-5-14-9/h1-2,4-5H,3,10H2,(H3,11,12,13,14)
InChIKeyZADCIROPFZWDDF-UHFFFAOYSA-N
XLogP0.51
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-enyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-aminoprop-1-enyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 169464554) is 5-(3-aminoprop-1-enyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-aminoprop-1-enyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-aminoprop-1-enyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is NCC=Cc1c[nH]c2ncnc(N)c12.
What is the InChIKey of 5-(3-aminoprop-1-enyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZADCIROPFZWDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-3-1-2-6-4-12-9-7(6)8(11)13-5-14-9/h1-2,4-5H,3,10H2,(H3,11,12,13,14).
What are the key properties of 5-(3-aminoprop-1-enyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-(3-aminoprop-1-enyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 189.22 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-enyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 169464554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).