2-chloro-N-methyl-5-nitropyrimidin-4-amine

C5H5ClN4O2 — CID 7147232

IUPAC2-chloro-N-methyl-5-nitropyrimidin-4-amine
SMILESCNc1nc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C5H5ClN4O2/c1-7-4-3(10(11)12)2-8-5(6)9-4/h2H,1H3,(H,7,8,9)
InChIKeyPOTFNHOCCZSOOA-UHFFFAOYSA-N
MW188.57 g/mol
LogP1.08
Rot. Bonds2

About 2-chloro-N-methyl-5-nitropyrimidin-4-amine

2-chloro-N-methyl-5-nitropyrimidin-4-amine (PubChem CID 7147232) has the molecular formula C5H5ClN4O2 and a molecular weight of 188.57 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-5-nitropyrimidin-4-amine
PubChem CID7147232
Molecular FormulaC5H5ClN4O2
Molecular Weight188.57 g/mol
Exact Mass188.01
IUPAC Name2-chloro-N-methyl-5-nitropyrimidin-4-amine
SMILESCNc1nc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C5H5ClN4O2/c1-7-4-3(10(11)12)2-8-5(6)9-4/h2H,1H3,(H,7,8,9)
InChIKeyPOTFNHOCCZSOOA-UHFFFAOYSA-N
XLogP1.08
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.57
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-N-methyl-5-nitropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-methyl-5-nitropyrimidin-4-amine (CID 7147232) is 2-chloro-N-methyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-5-nitropyrimidin-4-amine is CNc1nc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-methyl-5-nitropyrimidin-4-amine?
The InChIKey is POTFNHOCCZSOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN4O2/c1-7-4-3(10(11)12)2-8-5(6)9-4/h2H,1H3,(H,7,8,9).
What are the key properties of 2-chloro-N-methyl-5-nitropyrimidin-4-amine?
2-chloro-N-methyl-5-nitropyrimidin-4-amine has a molecular weight of 188.57 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 7147232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).