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

C12H15N5O — CID 102126822

IUPAC4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESNC(=O)c1cn(C2CCCC2)c2ncnc(N)c12
InChIInChI=1S/C12H15N5O/c13-10-9-8(11(14)18)5-17(7-3-1-2-4-7)12(9)16-6-15-10/h5-7H,1-4H2,(H2,14,18)(H2,13,15,16)
InChIKeyMSAMENBVNGYCKG-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.23
Rot. Bonds2

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

4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 102126822) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID102126822
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESNC(=O)c1cn(C2CCCC2)c2ncnc(N)c12
InChIInChI=1S/C12H15N5O/c13-10-9-8(11(14)18)5-17(7-3-1-2-4-7)12(9)16-6-15-10/h5-7H,1-4H2,(H2,14,18)(H2,13,15,16)
InChIKeyMSAMENBVNGYCKG-UHFFFAOYSA-N
XLogP1.23
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 102126822) is 4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carboxamide is NC(=O)c1cn(C2CCCC2)c2ncnc(N)c12.
What is the InChIKey of 4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is MSAMENBVNGYCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-10-9-8(11(14)18)5-17(7-3-1-2-4-7)12(9)16-6-15-10/h5-7H,1-4H2,(H2,14,18)(H2,13,15,16).
What are the key properties of 4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 102126822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).