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

C7H6N4O2 — CID 13302381

IUPAC2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1ncc2[nH]cc([N+](=O)[O-])c2n1
InChIInChI=1S/C7H6N4O2/c1-4-8-2-5-7(10-4)6(3-9-5)11(12)13/h2-3,9H,1H3
InChIKeyFXSHVDDCOWNSNX-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.17
Rot. Bonds1

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

2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 13302381) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID13302381
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1ncc2[nH]cc([N+](=O)[O-])c2n1
InChIInChI=1S/C7H6N4O2/c1-4-8-2-5-7(10-4)6(3-9-5)11(12)13/h2-3,9H,1H3
InChIKeyFXSHVDDCOWNSNX-UHFFFAOYSA-N
XLogP1.17
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5H-Pyrrolo(3,2-d)pyrimidin-4-amine
CID 5287565
6-Nitro-2-(2-pyridyl)benzimidazole
CID 100489
Imidazo(4,5-b)pyridine
CID 67504
5-Nitro-2-(4-pyridinyl)-1H-benzimidazole
CID 617535
6-Nitro-2-(pyridin-3-yl)-1H-benzimidazole
CID 617536
3H-Imidazo(4,5-b)pyridin-2-amine
CID 179897
Pyrrolopyrimidine
CID 577022
4-(1-methyl-1H-imidazo(4,5-c)pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 11680113
1H-Imidazo(4,5-c)pyridine
CID 9227
2-(4-nitro-1H-benzo[d]imidazol-2-yl)quinoxaline
CID 11565524
4-(1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 23646578
2-(1-methylpyrrol-2-yl)-6-nitro-1H-benzimidazole
CID 1422830

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine (CID 13302381) is 2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine is Cc1ncc2[nH]cc([N+](=O)[O-])c2n1.
What is the InChIKey of 2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is FXSHVDDCOWNSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c1-4-8-2-5-7(10-4)6(3-9-5)11(12)13/h2-3,9H,1H3.
What are the key properties of 2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine?
2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 178.15 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 13302381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).