5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

C7H6N4O — CID 155786251

IUPAC5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESNC(=O)c1ncnc2cc[nH]c12
InChIInChI=1S/C7H6N4O/c8-7(12)6-5-4(1-2-9-5)10-3-11-6/h1-3,9H,(H2,8,12)
InChIKeyQEMCETYHNXJHGH-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.06
Rot. Bonds1

About 5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (PubChem CID 155786251) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
PubChem CID155786251
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESNC(=O)c1ncnc2cc[nH]c12
InChIInChI=1S/C7H6N4O/c8-7(12)6-5-4(1-2-9-5)10-3-11-6/h1-3,9H,(H2,8,12)
InChIKeyQEMCETYHNXJHGH-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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Related Compounds

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CID 135461003
N-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617700
N-(1-methyl-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617703
N-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617760
N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617764
N5-methyl-N4-(2-pyridyl)-1H-imidazole-4,5-dicarboxamide
CID 851158
2-(1-methyl-1H-imidazo[4,5-c]pyridine-4-carboxamido)acetic acid
CID 44579681
2-(1-phenyl-1H-imidazo[4,5-c]pyridine-4-carboxamido)acetic acid
CID 44579682
2-(2-methyl-1-phenyl-1H-imidazo[4,5-c]pyridine-4-carboxamido)acetic acid
CID 44579685
5-methyl-N-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 71453150
N-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 71456662
5-methyl-N-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 71456663

Frequently Asked Questions

What is the IUPAC name of 5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of 5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (CID 155786251) is 5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for 5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is NC(=O)c1ncnc2cc[nH]c12.
What is the InChIKey of 5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is QEMCETYHNXJHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c8-7(12)6-5-4(1-2-9-5)10-3-11-6/h1-3,9H,(H2,8,12).
What are the key properties of 5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
5H-pyrrolo[3,2-d]pyrimidine-4-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 5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 155786251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).