5-(2-chlorophenyl)pyrimidin-2-amine;methyl formate

C12H12ClN3O2 — CID 161223968

IUPAC5-(2-chlorophenyl)pyrimidin-2-amine;methyl formate
SMILESCOC=O.Nc1ncc(-c2ccccc2Cl)cn1
InChIInChI=1S/C10H8ClN3.C2H4O2/c11-9-4-2-1-3-8(9)7-5-13-10(12)14-6-7;1-4-2-3/h1-6H,(H2,12,13,14);2H,1H3
InChIKeyUXWNYMQBVGWAIB-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.17
Rot. Bonds2

About 5-(2-chlorophenyl)pyrimidin-2-amine;methyl formate

5-(2-chlorophenyl)pyrimidin-2-amine;methyl formate (PubChem CID 161223968) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-(2-chlorophenyl)pyrimidin-2-amine;methyl formate.

Molecular Properties

Compound Name5-(2-chlorophenyl)pyrimidin-2-amine;methyl formate
PubChem CID161223968
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name5-(2-chlorophenyl)pyrimidin-2-amine;methyl formate
SMILESCOC=O.Nc1ncc(-c2ccccc2Cl)cn1
InChIInChI=1S/C10H8ClN3.C2H4O2/c11-9-4-2-1-3-8(9)7-5-13-10(12)14-6-7;1-4-2-3/h1-6H,(H2,12,13,14);2H,1H3
InChIKeyUXWNYMQBVGWAIB-UHFFFAOYSA-N
XLogP2.17
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)pyrimidin-2-amine;methyl formate?
The IUPAC name of 5-(2-chlorophenyl)pyrimidin-2-amine;methyl formate (CID 161223968) is 5-(2-chlorophenyl)pyrimidin-2-amine;methyl formate.
What is the SMILES notation for 5-(2-chlorophenyl)pyrimidin-2-amine;methyl formate?
The canonical SMILES for 5-(2-chlorophenyl)pyrimidin-2-amine;methyl formate is COC=O.Nc1ncc(-c2ccccc2Cl)cn1.
What is the InChIKey of 5-(2-chlorophenyl)pyrimidin-2-amine;methyl formate?
The InChIKey is UXWNYMQBVGWAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3.C2H4O2/c11-9-4-2-1-3-8(9)7-5-13-10(12)14-6-7;1-4-2-3/h1-6H,(H2,12,13,14);2H,1H3.
What are the key properties of 5-(2-chlorophenyl)pyrimidin-2-amine;methyl formate?
5-(2-chlorophenyl)pyrimidin-2-amine;methyl formate has a molecular weight of 265.70 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)pyrimidin-2-amine;methyl formate is sourced from PubChem (CID 161223968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).