2-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyrimidine-2,4-diamine

C13H13N7O2 — CID 133423053

IUPAC2-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyrimidine-2,4-diamine
SMILESCc1cccn2cc(CNc3ncc([N+](=O)[O-])c(N)n3)nc12
InChIInChI=1S/C13H13N7O2/c1-8-3-2-4-19-7-9(17-12(8)19)5-15-13-16-6-10(20(21)22)11(14)18-13/h2-4,6-7H,5H2,1H3,(H3,14,15,16,18)
InChIKeyUNADWNLDURJWJI-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.54
Rot. Bonds4

About 2-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyrimidine-2,4-diamine

2-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyrimidine-2,4-diamine (PubChem CID 133423053) has the molecular formula C13H13N7O2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyrimidine-2,4-diamine
PubChem CID133423053
Molecular FormulaC13H13N7O2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name2-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyrimidine-2,4-diamine
SMILESCc1cccn2cc(CNc3ncc([N+](=O)[O-])c(N)n3)nc12
InChIInChI=1S/C13H13N7O2/c1-8-3-2-4-19-7-9(17-12(8)19)5-15-13-16-6-10(20(21)22)11(14)18-13/h2-4,6-7H,5H2,1H3,(H3,14,15,16,18)
InChIKeyUNADWNLDURJWJI-UHFFFAOYSA-N
XLogP1.54
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 2-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyrimidine-2,4-diamine (CID 133423053) is 2-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyrimidine-2,4-diamine is Cc1cccn2cc(CNc3ncc([N+](=O)[O-])c(N)n3)nc12.
What is the InChIKey of 2-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyrimidine-2,4-diamine?
The InChIKey is UNADWNLDURJWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2/c1-8-3-2-4-19-7-9(17-12(8)19)5-15-13-16-6-10(20(21)22)11(14)18-13/h2-4,6-7H,5H2,1H3,(H3,14,15,16,18).
What are the key properties of 2-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyrimidine-2,4-diamine?
2-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyrimidine-2,4-diamine has a molecular weight of 299.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-nitropyrimidine-2,4-diamine is sourced from PubChem (CID 133423053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).