4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carboxamide

C10H11N5O — CID 510435

IUPAC4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESC=CCn1cc(C(N)=O)c2c(N)ncnc21
InChIInChI=1S/C10H11N5O/c1-2-3-15-4-6(9(12)16)7-8(11)13-5-14-10(7)15/h2,4-5H,1,3H2,(H2,12,16)(H2,11,13,14)
InChIKeyTVKQNFSDMVOKMW-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.30
Rot. Bonds3

About 4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carboxamide

4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 510435) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID510435
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESC=CCn1cc(C(N)=O)c2c(N)ncnc21
InChIInChI=1S/C10H11N5O/c1-2-3-15-4-6(9(12)16)7-8(11)13-5-14-10(7)15/h2,4-5H,1,3H2,(H2,12,16)(H2,11,13,14)
InChIKeyTVKQNFSDMVOKMW-UHFFFAOYSA-N
XLogP0.30
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 510435) is 4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carboxamide is C=CCn1cc(C(N)=O)c2c(N)ncnc21.
What is the InChIKey of 4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is TVKQNFSDMVOKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-2-3-15-4-6(9(12)16)7-8(11)13-5-14-10(7)15/h2,4-5H,1,3H2,(H2,12,16)(H2,11,13,14).
What are the key properties of 4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 510435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).