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

C8H9N5O — CID 510434

IUPAC4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCn1cc(C(N)=O)c2c(N)ncnc21
InChIInChI=1S/C8H9N5O/c1-13-2-4(7(10)14)5-6(9)11-3-12-8(5)13/h2-3H,1H3,(H2,10,14)(H2,9,11,12)
InChIKeyQUNBTLKTXICAAL-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.35
Rot. Bonds1

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

4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 510434) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID510434
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCn1cc(C(N)=O)c2c(N)ncnc21
InChIInChI=1S/C8H9N5O/c1-13-2-4(7(10)14)5-6(9)11-3-12-8(5)13/h2-3H,1H3,(H2,10,14)(H2,9,11,12)
InChIKeyQUNBTLKTXICAAL-UHFFFAOYSA-N
XLogP-0.35
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 510434) is 4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide is Cn1cc(C(N)=O)c2c(N)ncnc21.
What is the InChIKey of 4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is QUNBTLKTXICAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-13-2-4(7(10)14)5-6(9)11-3-12-8(5)13/h2-3H,1H3,(H2,10,14)(H2,9,11,12).
What are the key properties of 4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 191.19 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 510434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).