7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

C7H6N4O — CID 45084617

IUPAC7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESNC(=O)c1c[nH]c2ncncc12
InChIInChI=1S/C7H6N4O/c8-6(12)4-2-10-7-5(4)1-9-3-11-7/h1-3H,(H2,8,12)(H,9,10,11)
InChIKeyDYMCRSCIKQMSRP-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.06
Rot. Bonds1

About 7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 45084617) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID45084617
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESNC(=O)c1c[nH]c2ncncc12
InChIInChI=1S/C7H6N4O/c8-6(12)4-2-10-7-5(4)1-9-3-11-7/h1-3H,(H2,8,12)(H,9,10,11)
InChIKeyDYMCRSCIKQMSRP-UHFFFAOYSA-N
XLogP0.06
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 45084617) is 7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is NC(=O)c1c[nH]c2ncncc12.
What is the InChIKey of 7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is DYMCRSCIKQMSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c8-6(12)4-2-10-7-5(4)1-9-3-11-7/h1-3H,(H2,8,12)(H,9,10,11).
What are the key properties of 7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 162.15 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 45084617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).