4-amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

C10H13N5O2 — CID 510429

IUPAC4-amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCCOCn1cc(C(N)=O)c2c(N)ncnc21
InChIInChI=1S/C10H13N5O2/c1-2-17-5-15-3-6(9(12)16)7-8(11)13-4-14-10(7)15/h3-4H,2,5H2,1H3,(H2,12,16)(H2,11,13,14)
InChIKeyPLFMTTBVALKHIP-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.11
Rot. Bonds4

About 4-amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

4-amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 510429) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID510429
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name4-amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCCOCn1cc(C(N)=O)c2c(N)ncnc21
InChIInChI=1S/C10H13N5O2/c1-2-17-5-15-3-6(9(12)16)7-8(11)13-4-14-10(7)15/h3-4H,2,5H2,1H3,(H2,12,16)(H2,11,13,14)
InChIKeyPLFMTTBVALKHIP-UHFFFAOYSA-N
XLogP0.11
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 510429) is 4-amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide is CCOCn1cc(C(N)=O)c2c(N)ncnc21.
What is the InChIKey of 4-amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is PLFMTTBVALKHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-2-17-5-15-3-6(9(12)16)7-8(11)13-4-14-10(7)15/h3-4H,2,5H2,1H3,(H2,12,16)(H2,11,13,14).
What are the key properties of 4-amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 235.25 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 510429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).