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

C9H11N5O — CID 144849123

IUPAC4-amino-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1cc(C(N)=O)c2c(N)ncnc21
InChIInChI=1S/C9H11N5O/c1-2-14-3-5(8(11)15)6-7(10)12-4-13-9(6)14/h3-4H,2H2,1H3,(H2,11,15)(H2,10,12,13)
InChIKeyXVXHMIFWTRETFT-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.13
Rot. Bonds2

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

4-amino-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 144849123) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-amino-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID144849123
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name4-amino-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1cc(C(N)=O)c2c(N)ncnc21
InChIInChI=1S/C9H11N5O/c1-2-14-3-5(8(11)15)6-7(10)12-4-13-9(6)14/h3-4H,2H2,1H3,(H2,11,15)(H2,10,12,13)
InChIKeyXVXHMIFWTRETFT-UHFFFAOYSA-N
XLogP0.13
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 144849123) is 4-amino-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxamide is CCn1cc(C(N)=O)c2c(N)ncnc21.
What is the InChIKey of 4-amino-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is XVXHMIFWTRETFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-2-14-3-5(8(11)15)6-7(10)12-4-13-9(6)14/h3-4H,2H2,1H3,(H2,11,15)(H2,10,12,13).
What are the key properties of 4-amino-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-amino-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 205.22 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 144849123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).